(5-bromanyl-2-methoxy-phenyl)methyl 4-oxidanyl-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxylate

Systemtic Name: (5-bromanyl-2-methoxy-phenyl)methyl 4-oxidanyl-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxylate Openeye Name: (5-bromo-2-methoxy-phenyl)methyl 4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxylate CAS Name: 4-hydroxy-4-[3-(trifluoromethyl)phenyl]-1-piperidinecarboxylic acid (5-bromo-2-methoxyphenyl)methyl ester IUPAC Name: (5-bromo-2-methoxyphenyl)methyl 4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxylate Traditional Name: 4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxylic acid (5-bromo-2-methoxy-benzyl) ester Formula: C21H21BrF3NO4 MolecularWeight: 488.29495

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)COC(=O)N2CCC(CC2)(C3=CC(=CC=C3)C(F)(F)F)O

Isomeric SMILES

COC1=C(C=C(C=C1)Br)COC(=O)N2CCC(CC2)(C3=CC(=CC=C3)C(F)(F)F)O

InChI

InChI=1S/C21H21BrF3NO4/c1-29-18-6-5-17(22)11-14(18)13-30-19(27)26-9-7-20(28,8-10-26)15-3-2-4-16(12-15)21(23,24)25/h2-6,11-12,28H,7-10,13H2,1H3