methyl 3-[[3-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-ethenyl]indol-1-yl]methyl]benzoate

Systemtic Name: methyl 3-[[3-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-ethenyl]indol-1-yl]methyl]benzoate Openeye Name: methyl 3-[[3-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-vinyl]indol-1-yl]methyl]benzoate CAS Name: 3-[[3-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-1-indolyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[3-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]indol-1-yl]methyl]benzoate Traditional Name: 3-[[3-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-vinyl]indol-1-yl]methyl]benzoic acid methyl ester Formula: C27H20N4O2 MolecularWeight: 432.4733

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CN2C=C(C3=CC=CC=C32)C=C(C#N)C4=NC5=CC=CC=C5N4

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CN2C=C(C3=CC=CC=C32)/C=C(\C#N)/C4=NC5=CC=CC=C5N4

InChI

InChI=1S/C27H20N4O2/c1-33-27(32)19-8-6-7-18(13-19)16-31-17-21(22-9-2-5-12-25(22)31)14-20(15-28)26-29-23-10-3-4-11-24(23)30-26/h2-14,17H,16H2,1H3,(H,29,30)/b20-14+