tert-butyl 4-[4-cyano-3-(trifluoromethyl)phenyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-cyano-3-(trifluoromethyl)phenyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-cyano-3-(trifluoromethyl)phenyl]piperidine-1-carboxylate CAS Name: 4-[4-cyano-3-(trifluoromethyl)phenyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-cyano-3-(trifluoromethyl)phenyl]piperidine-1-carboxylate Traditional Name: 4-[4-cyano-3-(trifluoromethyl)phenyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C18H21F3N2O2 MolecularWeight: 354.36675

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C2=CC(=C(C=C2)C#N)C(F)(F)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C2=CC(=C(C=C2)C#N)C(F)(F)F

InChI

InChI=1S/C18H21F3N2O2/c1-17(2,3)25-16(24)23-8-6-12(7-9-23)13-4-5-14(11-22)15(10-13)18(19,20)21/h4-5,10,12H,6-9H2,1-3H3