methyl 4-[[4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-ethenyl]-2-methoxy-phenoxy]methyl]benzoate

Systemtic Name: methyl 4-[[4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-ethenyl]-2-methoxy-phenoxy]methyl]benzoate Openeye Name: methyl 4-[[4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-vinyl]-2-methoxy-phenoxy]methyl]benzoate CAS Name: 4-[[4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-methoxyphenoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-methoxyphenoxy]methyl]benzoate Traditional Name: 4-[[4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-vinyl]-2-methoxy-phenoxy]methyl]benzoic acid methyl ester Formula: C26H21N3O4 MolecularWeight: 439.46264

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C2=NC3=CC=CC=C3N2)OCC4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C(\C#N)/C2=NC3=CC=CC=C3N2)OCC4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C26H21N3O4/c1-31-24-14-18(13-20(15-27)25-28-21-5-3-4-6-22(21)29-25)9-12-23(24)33-16-17-7-10-19(11-8-17)26(30)32-2/h3-14H,16H2,1-2H3,(H,28,29)/b20-13+