methyl 2-butyl-3-[[4-(2-cyanophenyl)phenyl]methyl]-6-methyl-benzimidazole-4-carboxylate

Systemtic Name: methyl 2-butyl-3-[[4-(2-cyanophenyl)phenyl]methyl]-6-methyl-benzimidazole-4-carboxylate Openeye Name: methyl 2-butyl-3-[[4-(2-cyanophenyl)phenyl]methyl]-6-methyl-benzimidazole-4-carboxylate CAS Name: 2-butyl-3-[[4-(2-cyanophenyl)phenyl]methyl]-6-methyl-4-benzimidazolecarboxylic acid methyl ester IUPAC Name: methyl 2-butyl-3-[[4-(2-cyanophenyl)phenyl]methyl]-6-methylbenzimidazole-4-carboxylate Traditional Name: 2-butyl-3-[4-(2-cyanophenyl)benzyl]-6-methyl-benzimidazole-4-carboxylic acid methyl ester Formula: C28H27N3O2 MolecularWeight: 437.53288

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C#N)C(=CC(=C2)C)C(=O)OC

Isomeric SMILES

CCCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C#N)C(=CC(=C2)C)C(=O)OC

InChI

InChI=1S/C28H27N3O2/c1-4-5-10-26-30-25-16-19(2)15-24(28(32)33-3)27(25)31(26)18-20-11-13-21(14-12-20)23-9-7-6-8-22(23)17-29/h6-9,11-16H,4-5,10,18H2,1-3H3