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

Systemtic Name: methyl 3-[[4-(2-cyanophenyl)phenyl]methyl]-2-propyl-benzimidazole-4-carboxylate Openeye Name: methyl 3-[[4-(2-cyanophenyl)phenyl]methyl]-2-propyl-benzimidazole-4-carboxylate CAS Name: 3-[[4-(2-cyanophenyl)phenyl]methyl]-2-propyl-4-benzimidazolecarboxylic acid methyl ester IUPAC Name: methyl 3-[[4-(2-cyanophenyl)phenyl]methyl]-2-propylbenzimidazole-4-carboxylate Traditional Name: 3-[4-(2-cyanophenyl)benzyl]-2-propyl-benzimidazole-4-carboxylic acid methyl ester Formula: C26H23N3O2 MolecularWeight: 409.47972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C#N)C(=O)OC

Isomeric SMILES

CCCC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C#N)C(=O)OC

InChI

InChI=1S/C26H23N3O2/c1-3-7-24-28-23-11-6-10-22(26(30)31-2)25(23)29(24)17-18-12-14-19(15-13-18)21-9-5-4-8-20(21)16-27/h4-6,8-15H,3,7,17H2,1-2H3