3-[2-[(Z)-2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)ethenyl]pyrrol-1-yl]benzoic acid

Systemtic Name: 3-[2-[(Z)-2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)ethenyl]pyrrol-1-yl]benzoic acid Openeye Name: 3-[2-[(Z)-2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)vinyl]pyrrol-1-yl]benzoic acid CAS Name: 3-[2-[(Z)-2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)ethenyl]-1-pyrrolyl]benzoic acid IUPAC Name: 3-[2-[(Z)-2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)ethenyl]pyrrol-1-yl]benzoic acid Traditional Name: 3-[2-[(Z)-2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)vinyl]pyrrol-1-yl]benzoic acid Formula: C22H16N4O2 MolecularWeight: 368.38804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N2)C(=CC3=CC=CN3C4=CC=CC(=C4)C(=O)O)C#N

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N2)/C(=C\C3=CC=CN3C4=CC=CC(=C4)C(=O)O)/C#N

InChI

InChI=1S/C22H16N4O2/c1-14-7-8-19-20(10-14)25-21(24-19)16(13-23)12-18-6-3-9-26(18)17-5-2-4-15(11-17)22(27)28/h2-12H,1H3,(H,24,25)(H,27,28)/b16-12-