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

Systemtic Name: methyl 3-[[4-(2-aminocarbonylphenyl)phenyl]methyl]-2-butyl-benzimidazole-4-carboxylate Openeye Name: methyl 2-butyl-3-[[4-(2-carbamoylphenyl)phenyl]methyl]benzimidazole-4-carboxylate CAS Name: 2-butyl-3-[[4-(2-carbamoylphenyl)phenyl]methyl]-4-benzimidazolecarboxylic acid methyl ester IUPAC Name: methyl 2-butyl-3-[[4-(2-carbamoylphenyl)phenyl]methyl]benzimidazole-4-carboxylate Traditional Name: 2-butyl-3-[4-(2-carbamoylphenyl)benzyl]benzimidazole-4-carboxylic acid methyl ester Formula: C27H27N3O3 MolecularWeight: 441.52158

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)N)C(=O)OC

Isomeric SMILES

CCCCC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)N)C(=O)OC

InChI

InChI=1S/C27H27N3O3/c1-3-4-12-24-29-23-11-7-10-22(27(32)33-2)25(23)30(24)17-18-13-15-19(16-14-18)20-8-5-6-9-21(20)26(28)31/h5-11,13-16H,3-4,12,17H2,1-2H3,(H2,28,31)