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

Systemtic Name: methyl 3-[[4-(2-cyanophenyl)phenyl]methyl]-2-cyclopropyl-benzimidazole-4-carboxylate Openeye Name: methyl 3-[[4-(2-cyanophenyl)phenyl]methyl]-2-cyclopropyl-benzimidazole-4-carboxylate CAS Name: 3-[[4-(2-cyanophenyl)phenyl]methyl]-2-cyclopropyl-4-benzimidazolecarboxylic acid methyl ester IUPAC Name: methyl 3-[[4-(2-cyanophenyl)phenyl]methyl]-2-cyclopropylbenzimidazole-4-carboxylate Traditional Name: 3-[4-(2-cyanophenyl)benzyl]-2-cyclopropyl-benzimidazole-4-carboxylic acid methyl ester Formula: C26H21N3O2 MolecularWeight: 407.46384

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C2C(=CC=C1)N=C(N2CC3=CC=C(C=C3)C4=CC=CC=C4C#N)C5CC5

Isomeric SMILES

COC(=O)C1=C2C(=CC=C1)N=C(N2CC3=CC=C(C=C3)C4=CC=CC=C4C#N)C5CC5

InChI

InChI=1S/C26H21N3O2/c1-31-26(30)22-7-4-8-23-24(22)29(25(28-23)19-13-14-19)16-17-9-11-18(12-10-17)21-6-3-2-5-20(21)15-27/h2-12,19H,13-14,16H2,1H3