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

Systemtic Name: 3-[3-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-ethenyl]-2,5-dimethyl-pyrrol-1-yl]-2-methyl-benzoic acid Openeye Name: 3-[3-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-vinyl]-2,5-dimethyl-pyrrol-1-yl]-2-methyl-benzoic acid CAS Name: 3-[3-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2,5-dimethyl-1-pyrrolyl]-2-methylbenzoic acid IUPAC Name: 3-[3-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2,5-dimethylpyrrol-1-yl]-2-methylbenzoic acid Traditional Name: 3-[3-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-vinyl]-2,5-dimethyl-pyrrol-1-yl]-2-methyl-benzoic acid Formula: C24H20N4O2 MolecularWeight: 396.4412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H20N4O2/c1-14-11-17(12-18(13-25)23-26-20-8-4-5-9-21(20)27-23)16(3)28(14)22-10-6-7-19(15(22)2)24(29)30/h4-12H,1-3H3,(H,26,27)(H,29,30)/b18-12+