methyl 2-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]benzimidazole-5-carboxylate

Systemtic Name: methyl 2-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]benzimidazole-5-carboxylate Openeye Name: methyl 2-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]benzimidazole-5-carboxylate CAS Name: 2-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]-5-benzimidazolecarboxylic acid methyl ester IUPAC Name: methyl 2-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]benzimidazole-5-carboxylate Traditional Name: 2-butyl-1-[4-(2-cyanophenyl)benzyl]benzimidazole-5-carboxylic acid methyl ester Formula: C27H25N3O2 MolecularWeight: 423.5063

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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(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C27H25N3O2/c1-3-4-9-26-29-24-16-21(27(31)32-2)14-15-25(24)30(26)18-19-10-12-20(13-11-19)23-8-6-5-7-22(23)17-28/h5-8,10-16H,3-4,9,18H2,1-2H3