(1-azanyl-1-oxidanylidene-propan-2-yl) 1-[4-(trifluoromethyl)phenyl]carbonylpiperidine-4-carboxylate

Systemtic Name: (1-azanyl-1-oxidanylidene-propan-2-yl) 1-[4-(trifluoromethyl)phenyl]carbonylpiperidine-4-carboxylate Openeye Name: (2-amino-1-methyl-2-oxo-ethyl) 1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxylate CAS Name: 1-[oxo-[4-(trifluoromethyl)phenyl]methyl]-4-piperidinecarboxylic acid (1-amino-1-oxopropan-2-yl) ester IUPAC Name: (1-amino-1-oxopropan-2-yl) 1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxylate Traditional Name: 1-[4-(trifluoromethyl)benzoyl]isonipecotic acid (2-amino-2-keto-1-methyl-ethyl) ester Formula: C17H19F3N2O4 MolecularWeight: 372.33897

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19F3N2O4/c1-10(14(21)23)26-16(25)12-6-8-22(9-7-12)15(24)11-2-4-13(5-3-11)17(18,19)20/h2-5,10,12H,6-9H2,1H3,(H2,21,23)