NP-MRD: Showing NP-Card for methyl 7a-ethenyl-3-(1h-indol-2-yl)-hexahydrofuro[2,3-c]pyridine-3-carboxylate (NP0289515)

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Record Information

Version

2.0

Created at

2022-09-09 19:44:11 UTC

Updated at

2022-09-09 19:44:11 UTC

NP-MRD ID

NP0289515

Secondary Accession Numbers

None

Natural Product Identification

Common Name

methyl 7a-ethenyl-3-(1h-indol-2-yl)-hexahydrofuro[2,3-c]pyridine-3-carboxylate

Description

Methyl 7a-ethenyl-3-(1H-indol-2-yl)-octahydrofuro[2,3-c]pyridine-3-carboxylate belongs to the class of organic compounds known as delta amino acids and derivatives. Delta amino acids and derivatives are compounds containing a carboxylic acid group and an amino group at the C5 carbon atom. Methyl 7a-ethenyl-3-(1H-indol-2-yl)-octahydrofuro[2,3-c]pyridine-3-carboxylate is a very strong basic compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 46 49  0  0  0  0  0  0  0  0999 V2000
   -3.4363   -0.2599    2.6387 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2640    0.5293    1.6079 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5768    0.1164    0.3496 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.4644   -0.9225   -0.2972 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1670   -2.2544    0.2508 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8898   -2.6164   -0.3433 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8241   -1.5948   -0.1932 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2000   -0.4101    0.6463 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3556    0.7587    0.1825 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3215    1.8470    1.1811 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8685    1.7015    2.2947 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3152    3.0313    0.8895 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3920    4.1251    1.7952 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0080    0.2964   -0.1805 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5431    0.0513   -1.4131 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8387   -0.3564   -1.2195 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8797   -0.7416   -2.0492 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0953   -1.1044   -1.5295 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3384   -1.1034   -0.1679 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3115   -0.7232    0.6538 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0705   -0.3519    0.1406 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9404    0.0481    0.7288 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1596    1.2165   -1.0149 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4544    1.1764   -0.5259 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0865   -1.3021    2.6650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9436    0.0963    3.5262 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6455    1.5575    1.6661 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3048   -1.0048   -1.3916 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5357   -0.7133   -0.1352 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8924   -2.8959   -0.1453 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5500   -3.6150    0.0062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1128   -2.7453   -1.4325 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0535   -2.0772    0.3192 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4475   -1.3177   -1.1977 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0188   -0.5706    1.7272 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4365    4.1106    2.1957 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3753    4.0854    2.5778 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3071    5.0988    1.2391 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0604    0.1519   -2.3628 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7042   -0.7470   -3.1121 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9165   -1.4080   -2.1789 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3055   -1.3918    0.2496 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4517   -0.7061    1.7216 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8509    0.1385    1.7812 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9310    2.2686   -1.2854 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9935    0.5281   -1.8560 H   0  0  0  0  0  0  0  0  0  0  0  0
 13 12  1  0
 12 10  1  0
 10 11  2  0
  9 10  1  1
  9 23  1  0
 23 24  1  0
 24  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  3  2  1  1
  2  1  2  3
  9 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
  8  9  1  0
 22 14  1  0
  8  3  1  0
 21 16  1  0
 13 36  1  0
 13 37  1  0
 13 38  1  0
 23 45  1  0
 23 46  1  0
  4 28  1  0
  4 29  1  0
  5 30  1  0
  6 31  1  0
  6 32  1  0
  7 33  1  0
  7 34  1  0
  8 35  1  1
  2 27  1  0
  1 25  1  0
  1 26  1  0
 15 39  1  0
 17 40  1  0
 18 41  1  0
 19 42  1  0
 20 43  1  0
 22 44  1  0
M  END


  Mrv1533004191521522D          

 24 27  0  0  0  0            999 V2000
   -0.6662    1.4279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7524    0.6075    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0850    0.1225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6687    0.4581    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1712   -0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0850   -1.5184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8386   -1.8540    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3907   -1.2409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2157   -1.2409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6282   -0.5264    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2157    0.1881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3907    0.1881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9782   -0.5264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7262   -1.9946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5467   -2.0808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6538   -0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387   -0.0305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    0.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378   -1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387   -1.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  5 13  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
 14 15  2  0  0  0  0
  5 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 18 23  1  0  0  0  0
 23 24  1  0  0  0  0
 16 24  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0289515

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC(=O)C1(COC2(CNCCC12)C=C)C1=CC2=CC=CC=C2N1

> <INCHI_IDENTIFIER>
InChI=1S/C19H22N2O3/c1-3-18-11-20-9-8-15(18)19(12-24-18,17(22)23-2)16-10-13-6-4-5-7-14(13)21-16/h3-7,10,15,20-21H,1,8-9,11-12H2,2H3

> <INCHI_KEY>
KZLFAYYOKRWYDO-UHFFFAOYSA-N

> <FORMULA>
C19H22N2O3

> <MOLECULAR_WEIGHT>
326.396

> <EXACT_MASS>
326.163042576

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
46

> <JCHEM_AVERAGE_POLARIZABILITY>
35.168734690724314

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
methyl 7a-ethenyl-3-(1H-indol-2-yl)-octahydrofuro[2,3-c]pyridine-3-carboxylate

> <ALOGPS_LOGP>
2.00

> <JCHEM_LOGP>
2.005296457666666

> <ALOGPS_LOGS>
-4.10

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_ACIDIC>
15.561115801119556

> <JCHEM_PKA_STRONGEST_BASIC>
9.707501414232576

> <JCHEM_POLAR_SURFACE_AREA>
63.35

> <JCHEM_REFRACTIVITY>
91.15540000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.57e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
methyl 7a-ethenyl-3-(1H-indol-2-yl)-hexahydrofuro[2,3-c]pyridine-3-carboxylate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 19-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   19-APR-15         0                                  
HETATM    1  C   UNK     0      -1.244   2.665   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      -1.404   1.134   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      -0.159   0.229   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0       1.248   0.855   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0      -0.320  -1.303   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -0.159  -2.834   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      -1.565  -3.461   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0      -2.596  -2.316   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -4.136  -2.316   0.000  0.00  0.00           C+0
HETATM   10  N   UNK     0      -4.906  -0.983   0.000  0.00  0.00           N+0
HETATM   11  C   UNK     0      -4.136   0.351   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -2.596   0.351   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -1.826  -0.983   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -3.222  -3.723   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -4.754  -3.884   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       1.220  -1.303   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       2.126  -0.057   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       3.590  -0.533   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       4.924   0.237   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       6.258  -0.533   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       6.258  -2.073   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       4.924  -2.843   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       3.590  -2.073   0.000  0.00  0.00           C+0
HETATM   24  N   UNK     0       2.126  -2.549   0.000  0.00  0.00           N+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6   13   16                                             
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9   13   14                                             
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12    5    8                                                  
CONECT   14    8   15                                                       
CONECT   15   14                                                            
CONECT   16    5   17   24                                                  
CONECT   17   16   18                                                       
CONECT   18   17   19   23                                                  
CONECT   19   18   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   18   24                                                  
CONECT   24   23   16                                                       
MASTER        0    0    0    0    0    0    0    0   24    0   54    0
END

View in JSmol

Synonyms

Value	Source
Methyl 7a-ethenyl-3-(1H-indol-2-yl)-octahydrofuro[2,3-c]pyridine-3-carboxylic acid	Generator

Chemical Formula

C₁₉H₂₂N₂O₃

Average Mass

326.3960 Da

Monoisotopic Mass

326.16304 Da

IUPAC Name

methyl 7a-ethenyl-3-(1H-indol-2-yl)-octahydrofuro[2,3-c]pyridine-3-carboxylate

Traditional Name

methyl 7a-ethenyl-3-(1H-indol-2-yl)-hexahydrofuro[2,3-c]pyridine-3-carboxylate

CAS Registry Number

Not Available

SMILES

COC(=O)C1(COC2(CNCCC12)C=C)C1=CC2=CC=CC=C2N1

InChI Identifier

InChI=1S/C19H22N2O3/c1-3-18-11-20-9-8-15(18)19(12-24-18,17(22)23-2)16-10-13-6-4-5-7-14(13)21-16/h3-7,10,15,20-21H,1,8-9,11-12H2,2H3

InChI Key

KZLFAYYOKRWYDO-UHFFFAOYSA-N

Experimental Spectra

Not Available

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as delta amino acids and derivatives. Delta amino acids and derivatives are compounds containing a carboxylic acid group and an amino group at the C5 carbon atom.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Delta amino acids and derivatives

Alternative Parents

Substituents

Delta amino acid or derivatives
Indole
Indole or derivatives
Aralkylamine
Piperidine
Substituted pyrrole
Benzenoid
Heteroaromatic compound
Oxolane
Methyl ester
Pyrrole
Carboxylic acid ester
Oxacycle
Azacycle
Organoheterocyclic compound
Dialkyl ether
Secondary aliphatic amine
Ether
Monocarboxylic acid or derivatives
Secondary amine
Organic oxygen compound
Organic oxide
Organic nitrogen compound
Organonitrogen compound
Organooxygen compound
Carbonyl group
Amine
Hydrocarbon derivative
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Property	Value	Source
logP	2	ALOGPS
logP	2.01	ChemAxon
logS	-4.1	ALOGPS
pKa (Strongest Acidic)	15.56	ChemAxon
pKa (Strongest Basic)	9.71	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	63.35 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	91.16 m³·mol⁻¹	ChemAxon
Polarizability	35.17 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

13891913

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for methyl 7a-ethenyl-3-(1h-indol-2-yl)-hexahydrofuro[2,3-c]pyridine-3-carboxylate (NP0289515)

MOL for NP0289515 (methyl 7a-ethenyl-3-(1h-indol-2-yl)-hexahydrofuro[2,3-c]pyridine-3-carboxylate)

3D MOL for NP0289515 (methyl 7a-ethenyl-3-(1h-indol-2-yl)-hexahydrofuro[2,3-c]pyridine-3-carboxylate)

3D SDF for NP0289515 (methyl 7a-ethenyl-3-(1h-indol-2-yl)-hexahydrofuro[2,3-c]pyridine-3-carboxylate)

3D-SDF for NP0289515 (methyl 7a-ethenyl-3-(1h-indol-2-yl)-hexahydrofuro[2,3-c]pyridine-3-carboxylate)

PDB for NP0289515 (methyl 7a-ethenyl-3-(1h-indol-2-yl)-hexahydrofuro[2,3-c]pyridine-3-carboxylate)

3D PDB for NP0289515 (methyl 7a-ethenyl-3-(1h-indol-2-yl)-hexahydrofuro[2,3-c]pyridine-3-carboxylate)

SMILES for NP0289515 (methyl 7a-ethenyl-3-(1h-indol-2-yl)-hexahydrofuro[2,3-c]pyridine-3-carboxylate)

INCHI for NP0289515 (methyl 7a-ethenyl-3-(1h-indol-2-yl)-hexahydrofuro[2,3-c]pyridine-3-carboxylate)

Structure for NP0289515 (methyl 7a-ethenyl-3-(1h-indol-2-yl)-hexahydrofuro[2,3-c]pyridine-3-carboxylate)

3D Structure for NP0289515 (methyl 7a-ethenyl-3-(1h-indol-2-yl)-hexahydrofuro[2,3-c]pyridine-3-carboxylate)