NP-MRD: Showing NP-Card for 2-[(4-butylphenyl)amino]-5-methoxy-3-methylcyclohexa-2,5-diene-1,4-dione (NP0190965)

Jump To Section:

Identification Spectra BioTaxonomy ChemoTaxonomy Physical properties Links References XML

Record Information

Version

2.0

Created at

2022-09-04 07:44:52 UTC

Updated at

2022-09-04 07:44:52 UTC

NP-MRD ID

NP0190965

Secondary Accession Numbers

None

Natural Product Identification

Common Name

2-[(4-butylphenyl)amino]-5-methoxy-3-methylcyclohexa-2,5-diene-1,4-dione

Description

2-((4-Butylphenyl)amino)-5-methoxy-3-methylcyclohexa-2,5-diene-1,4-dione belongs to the class of organic compounds known as p-benzoquinones. These are benzoquinones where the two C=O groups are attached at the 1- and 4-positions, respectively. 2-[(4-butylphenyl)amino]-5-methoxy-3-methylcyclohexa-2,5-diene-1,4-dione was first documented in 2016 (PMID: 27159617). Based on a literature review very few articles have been published on 2-((4-butylphenyl)amino)-5-methoxy-3-methylcyclohexa-2,5-diene-1,4-dione (PMID: 27855306).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 43 44  0  0  0  0  0  0  0  0999 V2000
    6.1583   -1.6412    0.6083 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9269   -0.1850    0.8924 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4732    0.1998    0.7866 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9445   -0.0793   -0.6209 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5147    0.3332   -0.6140 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1534    1.6228   -0.9457 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8082    2.0065   -0.9380 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1885    1.1186   -0.6024 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5441    1.5469   -0.6063 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6340    0.7320   -0.2833 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0178   -0.2004   -1.1239 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3618   -0.4637   -2.4325 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1710   -1.0606   -0.7794 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5589   -1.9643   -1.5717 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8998   -0.9037    0.4738 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9771   -1.7311    0.7606 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6413   -1.5447    2.0090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4883    0.0454    1.3002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3361    0.9142    0.9700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0322    1.7811    1.8255 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1902   -0.1627   -0.2745 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5112   -0.5731   -0.2727 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8688   -1.9325   -0.4024 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6560   -2.2554    1.3964 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2548   -1.8203    0.6957 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4691    0.3916    0.1120 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2684    0.0511    1.9105 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4142    1.3025    0.9267 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8963   -0.3301    1.5503 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0588   -1.1364   -0.9040 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5330    0.5379   -1.3304 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9388    2.3182   -1.2090 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5352    3.0295   -1.2023 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7765    2.5508   -0.8687 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6236    0.3089   -2.6857 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1498   -0.4201   -3.2329 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9700   -1.4908   -2.4496 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0163   -0.5031    1.9979 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4773   -2.2292    2.1449 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8454   -1.6386    2.7874 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0306    0.1572    2.2255 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6227   -0.8512   -0.0108 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7888   -1.5828   -0.0125 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 11 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
 15 18  2  0
 18 19  1  0
 19 20  2  0
  8 21  1  0
 21 22  2  0
 22  5  1  0
 19 10  1  0
  1 23  1  0
  1 24  1  0
  1 25  1  0
  2 26  1  0
  2 27  1  0
  3 28  1  0
  3 29  1  0
  4 30  1  0
  4 31  1  0
  6 32  1  0
  7 33  1  0
  9 34  1  0
 12 35  1  0
 12 36  1  0
 12 37  1  0
 17 38  1  0
 17 39  1  0
 17 40  1  0
 18 41  1  0
 21 42  1  0
 22 43  1  0
M  END


  Mrv1652309042209442D          

 22 23  0  0  0  0            999 V2000
   -2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 C   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  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 15 18  2  0  0  0  0
 18 19  1  0  0  0  0
 10 19  1  0  0  0  0
 19 20  2  0  0  0  0
  8 21  1  0  0  0  0
 21 22  2  0  0  0  0
  5 22  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0190965

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCCCC1=CC=C(NC2=C(C)C(=O)C(OC)=CC2=O)C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C18H21NO3/c1-4-5-6-13-7-9-14(10-8-13)19-17-12(2)18(21)16(22-3)11-15(17)20/h7-11,19H,4-6H2,1-3H3

> <INCHI_KEY>
RFYQGKUTWAUUJW-UHFFFAOYSA-N

> <FORMULA>
C18H21NO3

> <MOLECULAR_WEIGHT>
299.37

> <EXACT_MASS>
299.15214354

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
43

> <JCHEM_AVERAGE_POLARIZABILITY>
33.67156637477817

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2-[(4-butylphenyl)amino]-5-methoxy-3-methylcyclohexa-2,5-diene-1,4-dione

> <JCHEM_LOGP>
3.776605609333334

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.24004466526585

> <JCHEM_PKA_STRONGEST_BASIC>
-3.545222758896754

> <JCHEM_POLAR_SURFACE_AREA>
55.4

> <JCHEM_REFRACTIVITY>
90.9066

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
2-[(4-butylphenyl)amino]-5-methoxy-3-methylcyclohexa-2,5-diene-1,4-dione

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 04-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-SEP-22         0                                  
HETATM    1  C   UNK     0      -4.001   2.310   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -2.667   1.540   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -2.667  -0.000   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.000  -3.080   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       0.000  -4.620   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -1.334  -5.390   0.000  0.00  0.00           C+0
HETATM    9  N   UNK     0      -1.334  -6.930   0.000  0.00  0.00           N+0
HETATM   10  C   UNK     0      -0.000  -7.700   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       1.334  -6.930   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       1.334  -5.390   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       2.667  -7.700   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       4.001  -6.930   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       2.667  -9.240   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       4.001 -10.010   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0       5.335  -9.240   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       1.334 -10.010   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -0.000  -9.240   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0      -1.334 -10.010   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0      -2.667  -4.620   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -2.667  -3.080   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6   22                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9   21                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11   19                                                  
CONECT   11   10   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13   16   18                                                  
CONECT   16   15   17                                                       
CONECT   17   16                                                            
CONECT   18   15   19                                                       
CONECT   19   18   10   20                                                  
CONECT   20   19                                                            
CONECT   21    8   22                                                       
CONECT   22   21    5                                                       
MASTER        0    0    0    0    0    0    0    0   22    0   46    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₈H₂₁NO₃

Average Mass

299.3700 Da

Monoisotopic Mass

299.15214 Da

IUPAC Name

2-[(4-butylphenyl)amino]-5-methoxy-3-methylcyclohexa-2,5-diene-1,4-dione

Traditional Name

2-[(4-butylphenyl)amino]-5-methoxy-3-methylcyclohexa-2,5-diene-1,4-dione

CAS Registry Number

Not Available

SMILES

CCCCC1=CC=C(NC2=C(C)C(=O)C(OC)=CC2=O)C=C1

InChI Identifier

InChI=1S/C18H21NO3/c1-4-5-6-13-7-9-14(10-8-13)19-17-12(2)18(21)16(22-3)11-15(17)20/h7-11,19H,4-6H2,1-3H3

InChI Key

RFYQGKUTWAUUJW-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 p-benzoquinones. These are benzoquinones where the two C=O groups are attached at the 1- and 4-positions, respectively.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbonyl compounds

Direct Parent

P-benzoquinones

Alternative Parents

Substituents

Aniline or substituted anilines
P-benzoquinone
Secondary aliphatic/aromatic amine
Benzenoid
Monocyclic benzene moiety
Vinylogous ester
Vinylogous amide
Secondary amine
Enamine
Organic nitrogen compound
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Organonitrogen compound
Amine
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic 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	3.78	ChemAxon
pKa (Strongest Acidic)	11.24	ChemAxon
pKa (Strongest Basic)	-3.5	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	55.4 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	90.91 m³·mol⁻¹	ChemAxon
Polarizability	33.67 Å³	ChemAxon
Number of Rings	2	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

129830945

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Garcia-Mendez MC, Macias-Ruvalcaba NA, Lappe-Oliveras P, Hernandez-Ortega S, Macias-Rubalcava ML: Phytotoxic Potential of Secondary Metabolites and Semisynthetic Compounds from Endophytic Fungus Xylaria feejeensis Strain SM3e-1b Isolated from Sapium macrocarpum. J Agric Food Chem. 2016 Jun 1;64(21):4255-63. doi: 10.1021/acs.jafc.6b01111. Epub 2016 May 19. [PubMed:27159617 ]
Macias-Rubalcava ML, Garcia-Mendez MC, King-Diaz B, Macias-Ruvalcaba NA: Effect of phytotoxic secondary metabolites and semisynthetic compounds from endophytic fungus Xylaria feejeensis strain SM3e-1b on spinach chloroplast photosynthesis. J Photochem Photobiol B. 2017 Jan;166:35-43. doi: 10.1016/j.jphotobiol.2016.11.002. Epub 2016 Nov 9. [PubMed:27855306 ]
LOTUS database [Link]

Showing NP-Card for 2-[(4-butylphenyl)amino]-5-methoxy-3-methylcyclohexa-2,5-diene-1,4-dione (NP0190965)

MOL for NP0190965 (2-[(4-butylphenyl)amino]-5-methoxy-3-methylcyclohexa-2,5-diene-1,4-dione)

3D MOL for NP0190965 (2-[(4-butylphenyl)amino]-5-methoxy-3-methylcyclohexa-2,5-diene-1,4-dione)

3D SDF for NP0190965 (2-[(4-butylphenyl)amino]-5-methoxy-3-methylcyclohexa-2,5-diene-1,4-dione)

3D-SDF for NP0190965 (2-[(4-butylphenyl)amino]-5-methoxy-3-methylcyclohexa-2,5-diene-1,4-dione)

PDB for NP0190965 (2-[(4-butylphenyl)amino]-5-methoxy-3-methylcyclohexa-2,5-diene-1,4-dione)

3D PDB for NP0190965 (2-[(4-butylphenyl)amino]-5-methoxy-3-methylcyclohexa-2,5-diene-1,4-dione)

SMILES for NP0190965 (2-[(4-butylphenyl)amino]-5-methoxy-3-methylcyclohexa-2,5-diene-1,4-dione)

INCHI for NP0190965 (2-[(4-butylphenyl)amino]-5-methoxy-3-methylcyclohexa-2,5-diene-1,4-dione)

Structure for NP0190965 (2-[(4-butylphenyl)amino]-5-methoxy-3-methylcyclohexa-2,5-diene-1,4-dione)

3D Structure for NP0190965 (2-[(4-butylphenyl)amino]-5-methoxy-3-methylcyclohexa-2,5-diene-1,4-dione)