tert-butyl 3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-thiophen-2-yl-piperidine-1-carboxylate

Systemtic Name: tert-butyl 3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-thiophen-2-yl-piperidine-1-carboxylate Openeye Name: tert-butyl 3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-(2-thienyl)piperidine-1-carboxylate CAS Name: 3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-thiophen-2-yl-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-thiophen-2-ylpiperidine-1-carboxylate Traditional Name: 3-[3,5-bis(trifluoromethyl)benzyl]oxy-2-(2-thienyl)piperidine-1-carboxylic acid tert-butyl ester Formula: C23H25F6NO3S MolecularWeight: 509.504919

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1C2=CC=CS2)OCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(C1C2=CC=CS2)OCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C23H25F6NO3S/c1-21(2,3)33-20(31)30-8-4-6-17(19(30)18-7-5-9-34-18)32-13-14-10-15(22(24,25)26)12-16(11-14)23(27,28)29/h5,7,9-12,17,19H,4,6,8,13H2,1-3H3