ethyl 3-[[4-(2-cyanophenyl)phenyl]methyl]-2-(2-methylpropyl)benzimidazole-4-carboxylate

Systemtic Name: ethyl 3-[[4-(2-cyanophenyl)phenyl]methyl]-2-(2-methylpropyl)benzimidazole-4-carboxylate Openeye Name: ethyl 3-[[4-(2-cyanophenyl)phenyl]methyl]-2-isobutyl-benzimidazole-4-carboxylate CAS Name: 3-[[4-(2-cyanophenyl)phenyl]methyl]-2-(2-methylpropyl)-4-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[4-(2-cyanophenyl)phenyl]methyl]-2-(2-methylpropyl)benzimidazole-4-carboxylate Traditional Name: 3-[4-(2-cyanophenyl)benzyl]-2-isobutyl-benzimidazole-4-carboxylic acid ethyl ester Formula: C28H27N3O2 MolecularWeight: 437.53288

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C(=CC=C1)N=C(N2CC3=CC=C(C=C3)C4=CC=CC=C4C#N)CC(C)C

Isomeric SMILES

CCOC(=O)C1=C2C(=CC=C1)N=C(N2CC3=CC=C(C=C3)C4=CC=CC=C4C#N)CC(C)C

InChI

InChI=1S/C28H27N3O2/c1-4-33-28(32)24-10-7-11-25-27(24)31(26(30-25)16-19(2)3)18-20-12-14-21(15-13-20)23-9-6-5-8-22(23)17-29/h5-15,19H,4,16,18H2,1-3H3