(3,3-dimethyl-2-oxidanylidene-butyl) 1-[3-(trifluoromethyl)pyridin-2-yl]piperidine-3-carboxylate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 1-[3-(trifluoromethyl)pyridin-2-yl]piperidine-3-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 1-[3-(trifluoromethyl)-2-pyridyl]piperidine-3-carboxylate CAS Name: 1-[3-(trifluoromethyl)-2-pyridinyl]-3-piperidinecarboxylic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 1-[3-(trifluoromethyl)pyridin-2-yl]piperidine-3-carboxylate Traditional Name: 1-[3-(trifluoromethyl)-2-pyridyl]nipecotic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C18H23F3N2O3 MolecularWeight: 372.38203

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1CCCN(C1)C2=C(C=CC=N2)C(F)(F)F

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1CCCN(C1)C2=C(C=CC=N2)C(F)(F)F

InChI

InChI=1S/C18H23F3N2O3/c1-17(2,3)14(24)11-26-16(25)12-6-5-9-23(10-12)15-13(18(19,20)21)7-4-8-22-15/h4,7-8,12H,5-6,9-11H2,1-3H3