ethyl 2-[(E)-1-cyano-2-(3-methoxy-4-phenylmethoxy-phenyl)ethenyl]benzimidazole-1-carboxylate

Systemtic Name: ethyl 2-[(E)-1-cyano-2-(3-methoxy-4-phenylmethoxy-phenyl)ethenyl]benzimidazole-1-carboxylate Openeye Name: ethyl 2-[(E)-2-(4-benzyloxy-3-methoxy-phenyl)-1-cyano-vinyl]benzimidazole-1-carboxylate CAS Name: 2-[(E)-1-cyano-2-(3-methoxy-4-phenylmethoxyphenyl)ethenyl]-1-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(E)-1-cyano-2-(3-methoxy-4-phenylmethoxyphenyl)ethenyl]benzimidazole-1-carboxylate Traditional Name: 2-[(E)-2-(4-benzoxy-3-methoxy-phenyl)-1-cyano-vinyl]benzimidazole-1-carboxylic acid ethyl ester Formula: C27H23N3O4 MolecularWeight: 453.48922

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C2=CC=CC=C2N=C1C(=CC3=CC(=C(C=C3)OCC4=CC=CC=C4)OC)C#N

Isomeric SMILES

CCOC(=O)N1C2=CC=CC=C2N=C1/C(=C/C3=CC(=C(C=C3)OCC4=CC=CC=C4)OC)/C#N

InChI

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