ethyl 1-[1-(butylcarbamoyl)-5-(3-methylphenyl)piperidin-3-yl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-[1-(butylcarbamoyl)-5-(3-methylphenyl)piperidin-3-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[1-(butylcarbamoyl)-5-(m-tolyl)piperidine-3-carbonyl]piperidine-3-carboxylate CAS Name: 1-[[1-[butylamino(oxo)methyl]-5-(3-methylphenyl)-3-piperidinyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-(butylcarbamoyl)-5-(3-methylphenyl)piperidine-3-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[1-(butylcarbamoyl)-5-(m-tolyl)nipecotoyl]nipecotic acid ethyl ester Formula: C26H39N3O4 MolecularWeight: 457.60556

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)N1CC(CC(C1)C(=O)N2CCCC(C2)C(=O)OCC)C3=CC(=CC=C3)C

Isomeric SMILES

CCCCNC(=O)N1CC(CC(C1)C(=O)N2CCCC(C2)C(=O)OCC)C3=CC(=CC=C3)C

InChI

InChI=1S/C26H39N3O4/c1-4-6-12-27-26(32)29-17-22(20-10-7-9-19(3)14-20)15-23(18-29)24(30)28-13-8-11-21(16-28)25(31)33-5-2/h7,9-10,14,21-23H,4-6,8,11-13,15-18H2,1-3H3,(H,27,32)