ethyl (3S,5S)-2-oxidanylidene-5-(trifluoromethyl)piperidine-3-carboxylate

Systemtic Name: ethyl (3S,5S)-2-oxidanylidene-5-(trifluoromethyl)piperidine-3-carboxylate Openeye Name: ethyl (3S,5S)-2-oxo-5-(trifluoromethyl)piperidine-3-carboxylate CAS Name: (3S,5S)-2-oxo-5-(trifluoromethyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S,5S)-2-oxo-5-(trifluoromethyl)piperidine-3-carboxylate Traditional Name: (3S,5S)-2-keto-5-(trifluoromethyl)nipecotic acid ethyl ester Formula: C9H12F3NO3 MolecularWeight: 239.19169

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC(CNC1=O)C(F)(F)F

Isomeric SMILES

CCOC(=O)[C@H]1C[C@@H](CNC1=O)C(F)(F)F

InChI

InChI=1S/C9H12F3NO3/c1-2-16-8(15)6-3-5(9(10,11)12)4-13-7(6)14/h5-6H,2-4H2,1H3,(H,13,14)/t5-,6-/m0/s1