ethyl 4-(4-chlorophenyl)-5-cyano-2-oxidanyl-6-oxidanylidene-2-(trifluoromethyl)piperidine-3-carboxylate

Systemtic Name: ethyl 4-(4-chlorophenyl)-5-cyano-2-oxidanyl-6-oxidanylidene-2-(trifluoromethyl)piperidine-3-carboxylate Openeye Name: ethyl 4-(4-chlorophenyl)-5-cyano-2-hydroxy-6-oxo-2-(trifluoromethyl)piperidine-3-carboxylate CAS Name: 4-(4-chlorophenyl)-5-cyano-2-hydroxy-6-oxo-2-(trifluoromethyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-chlorophenyl)-5-cyano-2-hydroxy-6-oxo-2-(trifluoromethyl)piperidine-3-carboxylate Traditional Name: 4-(4-chlorophenyl)-5-cyano-2-hydroxy-6-keto-2-(trifluoromethyl)nipecotic acid ethyl ester Formula: C16H14ClF3N2O4 MolecularWeight: 390.74157

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C(C(=O)NC1(C(F)(F)F)O)C#N)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCOC(=O)C1C(C(C(=O)NC1(C(F)(F)F)O)C#N)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C16H14ClF3N2O4/c1-2-26-14(24)12-11(8-3-5-9(17)6-4-8)10(7-21)13(23)22-15(12,25)16(18,19)20/h3-6,10-12,25H,2H2,1H3,(H,22,23)