ethyl 2-butyl-3-[(3-cyano-4-phenyl-phenyl)methyl]benzimidazole-4-carboxylate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=CC=CC(=C2N1CC3=CC(=C(C=C3)C4=CC=CC=C4)C#N)C(=O)OCC

Isomeric SMILES

CCCCC1=NC2=CC=CC(=C2N1CC3=CC(=C(C=C3)C4=CC=CC=C4)C#N)C(=O)OCC

InChI

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