ethyl 1-[1-(butylcarbamoyl)-6-(4-fluoranyl-3-methyl-phenyl)piperidin-3-yl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-[1-(butylcarbamoyl)-6-(4-fluoranyl-3-methyl-phenyl)piperidin-3-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[1-(butylcarbamoyl)-6-(4-fluoro-3-methyl-phenyl)piperidine-3-carbonyl]piperidine-3-carboxylate CAS Name: 1-[[1-[butylamino(oxo)methyl]-6-(4-fluoro-3-methylphenyl)-3-piperidinyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-(butylcarbamoyl)-6-(4-fluoro-3-methylphenyl)piperidine-3-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[1-(butylcarbamoyl)-6-(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(CCC1C2=CC(=C(C=C2)F)C)C(=O)N3CCCC(C3)C(=O)OCC

Isomeric SMILES

CCCCNC(=O)N1CC(CCC1C2=CC(=C(C=C2)F)C)C(=O)N3CCCC(C3)C(=O)OCC

InChI

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