[1-oxidanylidene-1-(propylamino)propan-2-yl] 1-[4-(trifluoromethyl)phenyl]carbonylpiperidine-4-carboxylate

Systemtic Name: [1-oxidanylidene-1-(propylamino)propan-2-yl] 1-[4-(trifluoromethyl)phenyl]carbonylpiperidine-4-carboxylate Openeye Name: [1-methyl-2-oxo-2-(propylamino)ethyl] 1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxylate CAS Name: 1-[oxo-[4-(trifluoromethyl)phenyl]methyl]-4-piperidinecarboxylic acid [1-oxo-1-(propylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(propylamino)propan-2-yl] 1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxylate Traditional Name: 1-[4-(trifluoromethyl)benzoyl]isonipecotic acid [2-keto-1-methyl-2-(propylamino)ethyl] ester Formula: C20H25F3N2O4 MolecularWeight: 414.41871

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)OC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

CCCNC(=O)C(C)OC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C20H25F3N2O4/c1-3-10-24-17(26)13(2)29-19(28)15-8-11-25(12-9-15)18(27)14-4-6-16(7-5-14)20(21,22)23/h4-7,13,15H,3,8-12H2,1-2H3,(H,24,26)