ethyl 1-(propylcarbamoyl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-(propylcarbamoyl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-(propylcarbamoyl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylate CAS Name: 1-[oxo(propylamino)methyl]-4-[[3-(trifluoromethyl)phenyl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(propylcarbamoyl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylate Traditional Name: 1-(propylcarbamoyl)-4-[3-(trifluoromethyl)benzyl]isonipecotic acid ethyl ester Formula: C20H27F3N2O3 MolecularWeight: 400.43519

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)N1CCC(CC1)(CC2=CC(=CC=C2)C(F)(F)F)C(=O)OCC

Isomeric SMILES

CCCNC(=O)N1CCC(CC1)(CC2=CC(=CC=C2)C(F)(F)F)C(=O)OCC

InChI

InChI=1S/C20H27F3N2O3/c1-3-10-24-18(27)25-11-8-19(9-12-25,17(26)28-4-2)14-15-6-5-7-16(13-15)20(21,22)23/h5-7,13H,3-4,8-12,14H2,1-2H3,(H,24,27)