[(1R)-2-azanyl-2-oxidanylidene-1-phenyl-ethyl] 1-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxylate

Systemtic Name: [(1R)-2-azanyl-2-oxidanylidene-1-phenyl-ethyl] 1-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxylate Openeye Name: [(1R)-2-amino-2-oxo-1-phenyl-ethyl] 1-[3-chloro-5-(trifluoromethyl)-2-pyridyl]piperidine-4-carboxylate CAS Name: 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-piperidinecarboxylic acid [(1R)-2-amino-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-amino-2-oxo-1-phenylethyl] 1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxylate Traditional Name: 1-[3-chloro-5-(trifluoromethyl)-2-pyridyl]isonipecotic acid [(1R)-2-amino-2-keto-1-phenyl-ethyl] ester Formula: C20H19ClF3N3O3 MolecularWeight: 441.83137

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OC(C2=CC=CC=C2)C(=O)N)C3=C(C=C(C=N3)C(F)(F)F)Cl

Isomeric SMILES

C1CN(CCC1C(=O)O[C@H](C2=CC=CC=C2)C(=O)N)C3=C(C=C(C=N3)C(F)(F)F)Cl

InChI

InChI=1S/C20H19ClF3N3O3/c21-15-10-14(20(22,23)24)11-26-18(15)27-8-6-13(7-9-27)19(29)30-16(17(25)28)12-4-2-1-3-5-12/h1-5,10-11,13,16H,6-9H2,(H2,25,28)/t16-/m1/s1