[4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-ethenyl]phenyl] (E)-3-phenylprop-2-enoate

Systemtic Name: [4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-ethenyl]phenyl] (E)-3-phenylprop-2-enoate Openeye Name: [4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-vinyl]phenyl] (E)-3-phenylprop-2-enoate CAS Name: (E)-3-phenyl-2-propenoic acid [4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]phenyl] ester IUPAC Name: [4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]phenyl] (E)-3-phenylprop-2-enoate Traditional Name: (E)-3-phenylacrylic acid [4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-vinyl]phenyl] ester Formula: C25H17N3O2 MolecularWeight: 391.42138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H17N3O2/c26-17-20(25-27-22-8-4-5-9-23(22)28-25)16-19-10-13-21(14-11-19)30-24(29)15-12-18-6-2-1-3-7-18/h1-16H,(H,27,28)/b15-12+,20-16+