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

Systemtic Name: ethyl 4-[[4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-ethenyl]-2-methoxy-phenoxy]methyl]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C27H23N3O4 MolecularWeight: 453.48922

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)COC2=C(C=C(C=C2)C=C(C#N)C3=NC4=CC=CC=C4N3)OC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)COC2=C(C=C(C=C2)/C=C(\C#N)/C3=NC4=CC=CC=C4N3)OC

InChI

InChI=1S/C27H23N3O4/c1-3-33-27(31)20-11-8-18(9-12-20)17-34-24-13-10-19(15-25(24)32-2)14-21(16-28)26-29-22-6-4-5-7-23(22)30-26/h4-15H,3,17H2,1-2H3,(H,29,30)/b21-14+