NP-MRD: Showing NP-Card for (2s)-n-[(1e)-2-(2,4-dibromo-5-methoxyphenyl)ethenyl]-1-methylpyrrolidine-2-carboximidic acid (NP0270630)

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Record Information

Version

1.0

Created at

2022-09-08 16:38:36 UTC

Updated at

2022-09-08 16:38:36 UTC

NP-MRD ID

NP0270630

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2s)-n-[(1e)-2-(2,4-dibromo-5-methoxyphenyl)ethenyl]-1-methylpyrrolidine-2-carboximidic acid

Description

N-[(E)-2-(2,4-Dibromo-5-methoxyphenyl)ethenyl]-1-methyl-L-prolinamide belongs to the class of organic compounds known as proline and derivatives. Proline and derivatives are compounds containing proline or a derivative thereof resulting from reaction of proline at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. Based on a literature review very few articles have been published on N-[(E)-2-(2,4-Dibromo-5-methoxyphenyl)ethenyl]-1-methyl-L-prolinamide.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 39 40  0  0  0  0  0  0  0  0999 V2000
    4.5643    2.9393    0.3160 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1107    1.9965   -0.5650 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3892    0.9126   -1.0617 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0935    0.6746   -0.7357 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3248   -0.4094   -1.2142 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9555   -0.5180   -0.7940 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1425   -1.4941   -1.0144 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2065   -1.4423   -0.5222 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4624   -1.1904    0.7160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3863   -0.9672    1.5748 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8092   -1.1227    1.2829 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.9054   -1.3715    0.3069 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9062   -0.2564    0.5848 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4465    0.2778    1.9340 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0129    0.2377    1.7892 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5333    1.2102    0.8213 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9605   -1.2619   -2.0665 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0899   -2.7620   -2.8614 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.3083   -1.0488   -2.4294 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9980    0.0275   -1.9254 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8150    0.3062   -2.4207 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.8597    3.6070   -0.2456 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0360    2.4508    1.1736 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4313    3.5328    0.7267 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5909    1.3605   -0.0526 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5586    0.3406   -0.2220 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4025   -2.3730   -1.5309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3447   -1.5710    2.3999 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8914   -1.8032    2.1666 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5939   -1.4085   -0.7410 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4316   -2.3237    0.5921 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9313   -0.6219    0.6936 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7841    0.5621   -0.1440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7167   -0.4594    2.7152 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8412    1.2876    2.1382 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6732    1.7441    1.2470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1920    0.7313   -0.1233 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3281    1.9623    0.5861 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7658   -1.7565   -3.1087 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
  5 17  2  0
 17 18  1  0
 17 19  1  0
 19 20  2  0
 20 21  1  0
 20  3  1  0
 15 11  1  0
  1 22  1  0
  1 23  1  0
  1 24  1  0
  4 25  1  0
  6 26  1  0
  7 27  1  0
 10 28  1  0
 11 29  1  1
 12 30  1  0
 12 31  1  0
 13 32  1  0
 13 33  1  0
 14 34  1  0
 14 35  1  0
 16 36  1  0
 16 37  1  0
 16 38  1  0
 19 39  1  0
M  END


  Mrv1652309082218382D          

 21 22  0  0  1  0            999 V2000
    0.1067   10.5402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1067    9.7152    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6078    9.3027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6078    8.4777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3222    8.0652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3222    7.2402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0367    6.8277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0367    6.0027    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7512    5.5902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4656    6.0027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7512    4.7652    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.0837    4.2803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3387    3.4956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1637    3.4956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4186    4.2803    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2032    4.5352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0367    8.4777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7512    8.0652    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.0367    9.3027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3222    9.7152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3222   10.5402    0.0000 Br  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
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  8  7  1  4  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 11  9  1  6  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
  5 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
  3 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0270630

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC(\C=C\N=C(O)[C@@H]2CCCN2C)=C(Br)C=C1Br

> <INCHI_IDENTIFIER>
InChI=1S/C15H18Br2N2O2/c1-19-7-3-4-13(19)15(20)18-6-5-10-8-14(21-2)12(17)9-11(10)16/h5-6,8-9,13H,3-4,7H2,1-2H3,(H,18,20)/b6-5+/t13-/m0/s1

> <INCHI_KEY>
DPCFPCPMRIZROA-GFUIURDCSA-N

> <FORMULA>
C15H18Br2N2O2

> <MOLECULAR_WEIGHT>
418.129

> <EXACT_MASS>
415.973504

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
39

> <JCHEM_AVERAGE_POLARIZABILITY>
35.96582637518787

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(2S)-N-[(E)-2-(2,4-dibromo-5-methoxyphenyl)ethenyl]-1-methylpyrrolidine-2-carboximidic acid

> <JCHEM_LOGP>
1.2855689023948345

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.1422885668761715

> <JCHEM_PKA_STRONGEST_BASIC>
8.131272906627913

> <JCHEM_POLAR_SURFACE_AREA>
45.06

> <JCHEM_REFRACTIVITY>
91.76910000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(2S)-N-[(E)-2-(2,4-dibromo-5-methoxyphenyl)ethenyl]-1-methylpyrrolidine-2-carboximidic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 08-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   08-SEP-22         0                                  
HETATM    1  C   UNK     0       0.199  19.675   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       0.199  18.135   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      -1.134  17.365   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -1.134  15.825   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -2.468  15.055   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -2.468  13.515   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -3.802  12.745   0.000  0.00  0.00           C+0
HETATM    8  N   UNK     0      -3.802  11.205   0.000  0.00  0.00           N+0
HETATM    9  C   UNK     0      -5.136  10.435   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0      -6.469  11.205   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0      -5.136   8.895   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -3.890   7.990   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -4.366   6.525   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -5.906   6.525   0.000  0.00  0.00           C+0
HETATM   15  N   UNK     0      -6.381   7.990   0.000  0.00  0.00           N+0
HETATM   16  C   UNK     0      -7.846   8.466   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -3.802  15.825   0.000  0.00  0.00           C+0
HETATM   18 Br   UNK     0      -5.136  15.055   0.000  0.00  0.00          Br+0
HETATM   19  C   UNK     0      -3.802  17.365   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -2.468  18.135   0.000  0.00  0.00           C+0
HETATM   21 Br   UNK     0      -2.468  19.675   0.000  0.00  0.00          Br+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   20                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6   17                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9   12   15                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   11   16                                                  
CONECT   16   15                                                            
CONECT   17    5   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17   20                                                       
CONECT   20   19    3   21                                                  
CONECT   21   20                                                            
MASTER        0    0    0    0    0    0    0    0   21    0   44    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₅H₁₈Br₂N₂O₂

Average Mass

418.1290 Da

Monoisotopic Mass

415.97350 Da

IUPAC Name

(2S)-N-[(E)-2-(2,4-dibromo-5-methoxyphenyl)ethenyl]-1-methylpyrrolidine-2-carboximidic acid

Traditional Name

(2S)-N-[(E)-2-(2,4-dibromo-5-methoxyphenyl)ethenyl]-1-methylpyrrolidine-2-carboximidic acid

CAS Registry Number

Not Available

SMILES

COC1=CC(\C=C\N=C(O)[C@@H]2CCCN2C)=C(Br)C=C1Br

InChI Identifier

InChI=1S/C15H18Br2N2O2/c1-19-7-3-4-13(19)15(20)18-6-5-10-8-14(21-2)12(17)9-11(10)16/h5-6,8-9,13H,3-4,7H2,1-2H3,(H,18,20)/b6-5+/t13-/m0/s1

InChI Key

DPCFPCPMRIZROA-GFUIURDCSA-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 proline and derivatives. Proline and derivatives are compounds containing proline or a derivative thereof resulting from reaction of proline at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Proline and derivatives

Alternative Parents

Substituents

Proline or derivatives
Alpha-amino acid amide
Phenoxy compound
Anisole
Methoxybenzene
Phenol ether
Pyrrolidine carboxylic acid or derivatives
Pyrrolidine-2-carboxamide
Styrene
Alkyl aryl ether
Halobenzene
Bromobenzene
Aryl bromide
Aryl halide
Monocyclic benzene moiety
Benzenoid
N-alkylpyrrolidine
Pyrrolidine
Carboxamide group
Secondary carboxylic acid amide
Tertiary aliphatic amine
Tertiary amine
Azacycle
Organoheterocyclic compound
Ether
Organonitrogen compound
Carbonyl group
Organooxygen compound
Organic oxygen compound
Organic nitrogen compound
Hydrocarbon derivative
Organic oxide
Amine
Organobromide
Organohalogen compound
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic 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	1.29	ChemAxon
pKa (Strongest Acidic)	1.14	ChemAxon
pKa (Strongest Basic)	8.13	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	45.06 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	91.77 m³·mol⁻¹	ChemAxon
Polarizability	35.97 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

9433626

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

11258600

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (2s)-n-[(1e)-2-(2,4-dibromo-5-methoxyphenyl)ethenyl]-1-methylpyrrolidine-2-carboximidic acid (NP0270630)

MOL for NP0270630 ((2s)-n-[(1e)-2-(2,4-dibromo-5-methoxyphenyl)ethenyl]-1-methylpyrrolidine-2-carboximidic acid)

3D MOL for NP0270630 ((2s)-n-[(1e)-2-(2,4-dibromo-5-methoxyphenyl)ethenyl]-1-methylpyrrolidine-2-carboximidic acid)

3D SDF for NP0270630 ((2s)-n-[(1e)-2-(2,4-dibromo-5-methoxyphenyl)ethenyl]-1-methylpyrrolidine-2-carboximidic acid)

3D-SDF for NP0270630 ((2s)-n-[(1e)-2-(2,4-dibromo-5-methoxyphenyl)ethenyl]-1-methylpyrrolidine-2-carboximidic acid)

PDB for NP0270630 ((2s)-n-[(1e)-2-(2,4-dibromo-5-methoxyphenyl)ethenyl]-1-methylpyrrolidine-2-carboximidic acid)

3D PDB for NP0270630 ((2s)-n-[(1e)-2-(2,4-dibromo-5-methoxyphenyl)ethenyl]-1-methylpyrrolidine-2-carboximidic acid)

SMILES for NP0270630 ((2s)-n-[(1e)-2-(2,4-dibromo-5-methoxyphenyl)ethenyl]-1-methylpyrrolidine-2-carboximidic acid)

INCHI for NP0270630 ((2s)-n-[(1e)-2-(2,4-dibromo-5-methoxyphenyl)ethenyl]-1-methylpyrrolidine-2-carboximidic acid)

Structure for NP0270630 ((2s)-n-[(1e)-2-(2,4-dibromo-5-methoxyphenyl)ethenyl]-1-methylpyrrolidine-2-carboximidic acid)

3D Structure for NP0270630 ((2s)-n-[(1e)-2-(2,4-dibromo-5-methoxyphenyl)ethenyl]-1-methylpyrrolidine-2-carboximidic acid)