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

Systemtic Name: (2-azanyl-2-oxidanylidene-1-phenyl-ethyl) 1-[4-(trifluoromethyl)phenyl]carbonylpiperidine-4-carboxylate Openeye Name: (2-amino-2-oxo-1-phenyl-ethyl) 1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxylate CAS Name: 1-[oxo-[4-(trifluoromethyl)phenyl]methyl]-4-piperidinecarboxylic acid (2-amino-2-oxo-1-phenylethyl) ester IUPAC Name: (2-amino-2-oxo-1-phenylethyl) 1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxylate Traditional Name: 1-[4-(trifluoromethyl)benzoyl]isonipecotic acid (2-amino-2-keto-1-phenyl-ethyl) ester Formula: C22H21F3N2O4 MolecularWeight: 434.40835

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OC(C2=CC=CC=C2)C(=O)N)C(=O)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

C1CN(CCC1C(=O)OC(C2=CC=CC=C2)C(=O)N)C(=O)C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C22H21F3N2O4/c23-22(24,25)17-8-6-15(7-9-17)20(29)27-12-10-16(11-13-27)21(30)31-18(19(26)28)14-4-2-1-3-5-14/h1-9,16,18H,10-13H2,(H2,26,28)