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

Systemtic Name: ethyl 5-cyano-4-(4-hydroxyphenyl)-2-oxidanyl-6-oxidanylidene-2-(trifluoromethyl)piperidine-3-carboxylate Openeye Name: ethyl 5-cyano-2-hydroxy-4-(4-hydroxyphenyl)-6-oxo-2-(trifluoromethyl)piperidine-3-carboxylate CAS Name: 5-cyano-2-hydroxy-4-(4-hydroxyphenyl)-6-oxo-2-(trifluoromethyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-2-hydroxy-4-(4-hydroxyphenyl)-6-oxo-2-(trifluoromethyl)piperidine-3-carboxylate Traditional Name: 5-cyano-2-hydroxy-4-(4-hydroxyphenyl)-6-keto-2-(trifluoromethyl)nipecotic acid ethyl ester Formula: C16H15F3N2O5 MolecularWeight: 372.29591

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C16H15F3N2O5/c1-2-26-14(24)12-11(8-3-5-9(22)6-4-8)10(7-20)13(23)21-15(12,25)16(17,18)19/h3-6,10-12,22,25H,2H2,1H3,(H,21,23)