[4-[(E)-2-cyano-2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethenyl]phenyl] 4-methoxybenzoate

Systemtic Name: [4-[(E)-2-cyano-2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethenyl]phenyl] 4-methoxybenzoate Openeye Name: [4-[(E)-2-cyano-2-(5,6-dimethyl-1H-benzimidazol-2-yl)vinyl]phenyl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [4-[(E)-2-cyano-2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethenyl]phenyl] ester IUPAC Name: [4-[(E)-2-cyano-2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethenyl]phenyl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [4-[(E)-2-cyano-2-(5,6-dimethyl-1H-benzimidazol-2-yl)vinyl]phenyl] ester Formula: C26H21N3O3 MolecularWeight: 423.46324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N=C(N2)C(=CC3=CC=C(C=C3)OC(=O)C4=CC=C(C=C4)OC)C#N

Isomeric SMILES

CC1=CC2=C(C=C1C)N=C(N2)/C(=C/C3=CC=C(C=C3)OC(=O)C4=CC=C(C=C4)OC)/C#N

InChI

InChI=1S/C26H21N3O3/c1-16-12-23-24(13-17(16)2)29-25(28-23)20(15-27)14-18-4-8-22(9-5-18)32-26(30)19-6-10-21(31-3)11-7-19/h4-14H,1-3H3,(H,28,29)/b20-14+