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

Systemtic Name: tert-butyl 3-[3,5-bis(trifluoromethyl)phenoxy]piperidine-1-carboxylate Openeye Name: tert-butyl 3-[3,5-bis(trifluoromethyl)phenoxy]piperidine-1-carboxylate CAS Name: 3-[3,5-bis(trifluoromethyl)phenoxy]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[3,5-bis(trifluoromethyl)phenoxy]piperidine-1-carboxylate Traditional Name: 3-[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)N1CCCC(C1)OC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(C1)OC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C18H21F6NO3/c1-16(2,3)28-15(26)25-6-4-5-13(10-25)27-14-8-11(17(19,20)21)7-12(9-14)18(22,23)24/h7-9,13H,4-6,10H2,1-3H3