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

Systemtic Name: methyl 1-[2-methyl-6-(2-methylpropanoylamino)-3-(phenylmethyl)benzimidazol-4-yl]carbonylpiperidine-4-carboxylate Openeye Name: methyl 1-[3-benzyl-2-methyl-6-(2-methylpropanoylamino)benzimidazole-4-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[2-methyl-6-[(2-methyl-1-oxopropyl)amino]-3-(phenylmethyl)-4-benzimidazolyl]-oxomethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[3-benzyl-2-methyl-6-(2-methylpropanoylamino)benzimidazole-4-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[3-benzyl-6-(isobutyrylamino)-2-methyl-benzimidazole-4-carbonyl]isonipecotic 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)N4CCC(CC4)C(=O)OC

Isomeric SMILES

CC1=NC2=C(N1CC3=CC=CC=C3)C(=CC(=C2)NC(=O)C(C)C)C(=O)N4CCC(CC4)C(=O)OC

InChI

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