ethyl 2-butan-2-yl-3-[[4-(2-cyanophenyl)phenyl]methyl]benzimidazole-4-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C#N)C(=O)OCC

Isomeric SMILES

CCC(C)C1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C#N)C(=O)OCC

InChI

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