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

Systemtic Name: (3-cyano-4-phenyl-phenyl)methyl 2-(2-methylpropyl)-1H-benzimidazole-4-carboxylate Openeye Name: (3-cyano-4-phenyl-phenyl)methyl 2-isobutyl-1H-benzimidazole-4-carboxylate CAS Name: 2-(2-methylpropyl)-1H-benzimidazole-4-carboxylic acid (3-cyano-4-phenylphenyl)methyl ester IUPAC Name: (3-cyano-4-phenylphenyl)methyl 2-(2-methylpropyl)-1H-benzimidazole-4-carboxylate Traditional Name: 2-isobutyl-1H-benzimidazole-4-carboxylic acid (3-cyano-4-phenyl-benzyl) ester Formula: C26H23N3O2 MolecularWeight: 409.47972

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NC2=C(C=CC=C2N1)C(=O)OCC3=CC(=C(C=C3)C4=CC=CC=C4)C#N

Isomeric SMILES

CC(C)CC1=NC2=C(C=CC=C2N1)C(=O)OCC3=CC(=C(C=C3)C4=CC=CC=C4)C#N

InChI

InChI=1S/C26H23N3O2/c1-17(2)13-24-28-23-10-6-9-22(25(23)29-24)26(30)31-16-18-11-12-21(20(14-18)15-27)19-7-4-3-5-8-19/h3-12,14,17H,13,16H2,1-2H3,(H,28,29)