(3-cyano-4-phenyl-phenyl)methyl 2-(2-methoxyethyl)-1H-benzimidazole-4-carboxylate

Systemtic Name: (3-cyano-4-phenyl-phenyl)methyl 2-(2-methoxyethyl)-1H-benzimidazole-4-carboxylate Openeye Name: (3-cyano-4-phenyl-phenyl)methyl 2-(2-methoxyethyl)-1H-benzimidazole-4-carboxylate CAS Name: 2-(2-methoxyethyl)-1H-benzimidazole-4-carboxylic acid (3-cyano-4-phenylphenyl)methyl ester IUPAC Name: (3-cyano-4-phenylphenyl)methyl 2-(2-methoxyethyl)-1H-benzimidazole-4-carboxylate Traditional Name: 2-(2-methoxyethyl)-1H-benzimidazole-4-carboxylic acid (3-cyano-4-phenyl-benzyl) ester Formula: C25H21N3O3 MolecularWeight: 411.45254

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Descriptors Computed from Structure

Canonical SMILES:

COCCC1=NC2=C(C=CC=C2N1)C(=O)OCC3=CC(=C(C=C3)C4=CC=CC=C4)C#N

Isomeric SMILES

COCCC1=NC2=C(C=CC=C2N1)C(=O)OCC3=CC(=C(C=C3)C4=CC=CC=C4)C#N

InChI

InChI=1S/C25H21N3O3/c1-30-13-12-23-27-22-9-5-8-21(24(22)28-23)25(29)31-16-17-10-11-20(19(14-17)15-26)18-6-3-2-4-7-18/h2-11,14H,12-13,16H2,1H3,(H,27,28)