tert-butyl 3-[[3-bromanyl-5-(trifluoromethyl)phenyl]methoxy]-2-phenyl-piperidine-1-carboxylate

Systemtic Name: tert-butyl 3-[[3-bromanyl-5-(trifluoromethyl)phenyl]methoxy]-2-phenyl-piperidine-1-carboxylate Openeye Name: tert-butyl 3-[[3-bromo-5-(trifluoromethyl)phenyl]methoxy]-2-phenyl-piperidine-1-carboxylate CAS Name: 3-[[3-bromo-5-(trifluoromethyl)phenyl]methoxy]-2-phenyl-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[3-bromo-5-(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidine-1-carboxylate Traditional Name: 3-[3-bromo-5-(trifluoromethyl)benzyl]oxy-2-phenyl-piperidine-1-carboxylic acid tert-butyl ester Formula: C24H27BrF3NO3 MolecularWeight: 514.37529

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1C2=CC=CC=C2)OCC3=CC(=CC(=C3)Br)C(F)(F)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(C1C2=CC=CC=C2)OCC3=CC(=CC(=C3)Br)C(F)(F)F

InChI

InChI=1S/C24H27BrF3NO3/c1-23(2,3)32-22(30)29-11-7-10-20(21(29)17-8-5-4-6-9-17)31-15-16-12-18(24(26,27)28)14-19(25)13-16/h4-6,8-9,12-14,20-21H,7,10-11,15H2,1-3H3