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

Systemtic Name: tert-butyl 4-[3,5-bis(trifluoromethyl)phenoxy]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[3,5-bis(trifluoromethyl)phenoxy]piperidine-1-carboxylate CAS Name: 4-[3,5-bis(trifluoromethyl)phenoxy]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3,5-bis(trifluoromethyl)phenoxy]piperidine-1-carboxylate Traditional Name: 4-[3,5-bis(trifluoromethyl)phenoxy]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(CC1)OC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)OC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C18H21F6NO3/c1-16(2,3)28-15(26)25-6-4-13(5-7-25)27-14-9-11(17(19,20)21)8-12(10-14)18(22,23)24/h8-10,13H,4-7H2,1-3H3