2-[3-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-ethenyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid

Systemtic Name: 2-[3-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-ethenyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid Openeye Name: 2-[3-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-vinyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid CAS Name: 2-[3-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2,5-dimethyl-1-pyrrolyl]benzoic acid IUPAC Name: 2-[3-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2,5-dimethylpyrrol-1-yl]benzoic acid Traditional Name: 2-[3-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-vinyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid Formula: C23H18N4O2 MolecularWeight: 382.41462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2C(=O)O)C)C=C(C#N)C3=NC4=CC=CC=C4N3

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2C(=O)O)C)/C=C(\C#N)/C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C23H18N4O2/c1-14-11-16(15(2)27(14)21-10-6-3-7-18(21)23(28)29)12-17(13-24)22-25-19-8-4-5-9-20(19)26-22/h3-12H,1-2H3,(H,25,26)(H,28,29)/b17-12+