[4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-ethenyl]phenyl] 4-methoxybenzoate

Systemtic Name: [4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-ethenyl]phenyl] 4-methoxybenzoate Openeye Name: [4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-vinyl]phenyl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]phenyl] ester IUPAC Name: [4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]phenyl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-vinyl]phenyl] ester Formula: C24H17N3O3 MolecularWeight: 395.41008

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C=C(C#N)C3=NC4=CC=CC=C4N3

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)/C=C(\C#N)/C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C24H17N3O3/c1-29-19-12-8-17(9-13-19)24(28)30-20-10-6-16(7-11-20)14-18(15-25)23-26-21-4-2-3-5-22(21)27-23/h2-14H,1H3,(H,26,27)/b18-14+