methyl 1-[2-methyl-6-(2-methylpropanoylamino)-3-(phenylmethyl)benzimidazol-4-yl]carbonylpiperidine-2-carboxylate

Systemtic Name: methyl 1-[2-methyl-6-(2-methylpropanoylamino)-3-(phenylmethyl)benzimidazol-4-yl]carbonylpiperidine-2-carboxylate Openeye Name: methyl 1-[3-benzyl-2-methyl-6-(2-methylpropanoylamino)benzimidazole-4-carbonyl]piperidine-2-carboxylate CAS Name: 1-[[2-methyl-6-[(2-methyl-1-oxopropyl)amino]-3-(phenylmethyl)-4-benzimidazolyl]-oxomethyl]-2-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[3-benzyl-2-methyl-6-(2-methylpropanoylamino)benzimidazole-4-carbonyl]piperidine-2-carboxylate Traditional Name: 1-[3-benzyl-6-(isobutyrylamino)-2-methyl-benzimidazole-4-carbonyl]pipecolinic acid methyl ester Formula: C27H32N4O4 MolecularWeight: 476.56738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1CC3=CC=CC=C3)C(=CC(=C2)NC(=O)C(C)C)C(=O)N4CCCCC4C(=O)OC

Isomeric SMILES

CC1=NC2=C(N1CC3=CC=CC=C3)C(=CC(=C2)NC(=O)C(C)C)C(=O)N4CCCCC4C(=O)OC

InChI

InChI=1S/C27H32N4O4/c1-17(2)25(32)29-20-14-21(26(33)30-13-9-8-12-23(30)27(34)35-4)24-22(15-20)28-18(3)31(24)16-19-10-6-5-7-11-19/h5-7,10-11,14-15,17,23H,8-9,12-13,16H2,1-4H3,(H,29,32)