tert-butyl 4-[3,5-bis(trifluoromethyl)phenyl]-3-oxidanyl-piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[3,5-bis(trifluoromethyl)phenyl]-3-oxidanyl-piperidine-1-carboxylate Openeye Name: tert-butyl 4-[3,5-bis(trifluoromethyl)phenyl]-3-hydroxy-piperidine-1-carboxylate CAS Name: 4-[3,5-bis(trifluoromethyl)phenyl]-3-hydroxy-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3,5-bis(trifluoromethyl)phenyl]-3-hydroxypiperidine-1-carboxylate Traditional Name: 4-[3,5-bis(trifluoromethyl)phenyl]-3-hydroxy-piperidine-1-carboxylic acid tert-butyl ester Formula: C18H21F6NO3 MolecularWeight: 413.354659

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(C(C1)O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(C(C1)O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C18H21F6NO3/c1-16(2,3)28-15(27)25-5-4-13(14(26)9-25)10-6-11(17(19,20)21)8-12(7-10)18(22,23)24/h6-8,13-14,26H,4-5,9H2,1-3H3