tert-butyl 4-(1-cyano-2-ethoxy-2-oxidanylidene-ethyl)-4-[4-(trifluoromethyl)phenyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-(1-cyano-2-ethoxy-2-oxidanylidene-ethyl)-4-[4-(trifluoromethyl)phenyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-(1-cyano-2-ethoxy-2-oxo-ethyl)-4-[4-(trifluoromethyl)phenyl]piperidine-1-carboxylate CAS Name: 4-(1-cyano-2-ethoxy-2-oxoethyl)-4-[4-(trifluoromethyl)phenyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(1-cyano-2-ethoxy-2-oxoethyl)-4-[4-(trifluoromethyl)phenyl]piperidine-1-carboxylate Traditional Name: 4-(1-cyano-2-ethoxy-2-keto-ethyl)-4-[4-(trifluoromethyl)phenyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C22H27F3N2O4 MolecularWeight: 440.45599

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#N)C1(CCN(CC1)C(=O)OC(C)(C)C)C2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

CCOC(=O)C(C#N)C1(CCN(CC1)C(=O)OC(C)(C)C)C2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C22H27F3N2O4/c1-5-30-18(28)17(14-26)21(15-6-8-16(9-7-15)22(23,24)25)10-12-27(13-11-21)19(29)31-20(2,3)4/h6-9,17H,5,10-13H2,1-4H3