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

Systemtic Name: ethyl 1-[2-methyl-6-(2-methylpropanoylamino)-3-(phenylmethyl)benzimidazol-4-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[3-benzyl-2-methyl-6-(2-methylpropanoylamino)benzimidazole-4-carbonyl]piperidine-3-carboxylate CAS Name: 1-[[2-methyl-6-[(2-methyl-1-oxopropyl)amino]-3-(phenylmethyl)-4-benzimidazolyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-benzyl-2-methyl-6-(2-methylpropanoylamino)benzimidazole-4-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[3-benzyl-6-(isobutyrylamino)-2-methyl-benzimidazole-4-carbonyl]nipecotic acid ethyl ester Formula: C28H34N4O4 MolecularWeight: 490.59396

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=CC(=CC3=C2N(C(=N3)C)CC4=CC=CC=C4)NC(=O)C(C)C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=CC(=CC3=C2N(C(=N3)C)CC4=CC=CC=C4)NC(=O)C(C)C

InChI

InChI=1S/C28H34N4O4/c1-5-36-28(35)21-12-9-13-31(17-21)27(34)23-14-22(30-26(33)18(2)3)15-24-25(23)32(19(4)29-24)16-20-10-7-6-8-11-20/h6-8,10-11,14-15,18,21H,5,9,12-13,16-17H2,1-4H3,(H,30,33)