ethyl 1-[1-(butylcarbamoyl)-5-(4-fluoranyl-3-methyl-phenyl)piperidin-3-yl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-[1-(butylcarbamoyl)-5-(4-fluoranyl-3-methyl-phenyl)piperidin-3-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[1-(butylcarbamoyl)-5-(4-fluoro-3-methyl-phenyl)piperidine-3-carbonyl]piperidine-3-carboxylate CAS Name: 1-[[1-[butylamino(oxo)methyl]-5-(4-fluoro-3-methylphenyl)-3-piperidinyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-(butylcarbamoyl)-5-(4-fluoro-3-methylphenyl)piperidine-3-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[1-(butylcarbamoyl)-5-(4-fluoro-3-methyl-phenyl)nipecotoyl]nipecotic acid ethyl ester Formula: C26H38FN3O4 MolecularWeight: 475.596023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H38FN3O4/c1-4-6-11-28-26(33)30-16-21(19-9-10-23(27)18(3)13-19)14-22(17-30)24(31)29-12-7-8-20(15-29)25(32)34-5-2/h9-10,13,20-22H,4-8,11-12,14-17H2,1-3H3,(H,28,33)