(1-azanyl-1-oxidanylidene-propan-2-yl) 1-[5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxylate

Systemtic Name: (1-azanyl-1-oxidanylidene-propan-2-yl) 1-[5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxylate Openeye Name: (2-amino-1-methyl-2-oxo-ethyl) 1-[5-(trifluoromethyl)-2-pyridyl]piperidine-4-carboxylate CAS Name: 1-[5-(trifluoromethyl)-2-pyridinyl]-4-piperidinecarboxylic acid (1-amino-1-oxopropan-2-yl) ester IUPAC Name: (1-amino-1-oxopropan-2-yl) 1-[5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxylate Traditional Name: 1-[5-(trifluoromethyl)-2-pyridyl]isonipecotic acid (2-amino-2-keto-1-methyl-ethyl) ester Formula: C15H18F3N3O3 MolecularWeight: 345.31693

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)OC(=O)C1CCN(CC1)C2=NC=C(C=C2)C(F)(F)F

Isomeric SMILES

CC(C(=O)N)OC(=O)C1CCN(CC1)C2=NC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C15H18F3N3O3/c1-9(13(19)22)24-14(23)10-4-6-21(7-5-10)12-3-2-11(8-20-12)15(16,17)18/h2-3,8-10H,4-7H2,1H3,(H2,19,22)