(3S,6S)-1-methyl-2-oxidanylidene-6-(trifluoromethyl)piperidine-3-carboxylic acid

Systemtic Name: (3S,6S)-1-methyl-2-oxidanylidene-6-(trifluoromethyl)piperidine-3-carboxylic acid Openeye Name: (3S,6S)-1-methyl-2-oxo-6-(trifluoromethyl)piperidine-3-carboxylic acid CAS Name: (3S,6S)-1-methyl-2-oxo-6-(trifluoromethyl)-3-piperidinecarboxylic acid IUPAC Name: (3S,6S)-1-methyl-2-oxo-6-(trifluoromethyl)piperidine-3-carboxylic acid Traditional Name: (3S,6S)-2-keto-1-methyl-6-(trifluoromethyl)nipecotic acid Formula: C8H10F3NO3 MolecularWeight: 225.16511

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(CCC(C1=O)C(=O)O)C(F)(F)F

Isomeric SMILES

CN1[C@@H](CC[C@@H](C1=O)C(=O)O)C(F)(F)F

InChI

InChI=1S/C8H10F3NO3/c1-12-5(8(9,10)11)3-2-4(6(12)13)7(14)15/h4-5H,2-3H2,1H3,(H,14,15)/t4-,5-/m0/s1