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

Systemtic Name: methyl 2-butyl-6-chloranyl-3-[[4-(2-cyanophenyl)phenyl]methyl]benzimidazole-4-carboxylate Openeye Name: methyl 2-butyl-6-chloro-3-[[4-(2-cyanophenyl)phenyl]methyl]benzimidazole-4-carboxylate CAS Name: 2-butyl-6-chloro-3-[[4-(2-cyanophenyl)phenyl]methyl]-4-benzimidazolecarboxylic acid methyl ester IUPAC Name: methyl 2-butyl-6-chloro-3-[[4-(2-cyanophenyl)phenyl]methyl]benzimidazole-4-carboxylate Traditional Name: 2-butyl-6-chloro-3-[4-(2-cyanophenyl)benzyl]benzimidazole-4-carboxylic acid methyl ester Formula: C27H24ClN3O2 MolecularWeight: 457.95136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H24ClN3O2/c1-3-4-9-25-30-24-15-21(28)14-23(27(32)33-2)26(24)31(25)17-18-10-12-19(13-11-18)22-8-6-5-7-20(22)16-29/h5-8,10-15H,3-4,9,17H2,1-2H3