(4-bromanyl-2-fluoranyl-phenyl)methyl 1-[4-(trifluoromethyl)phenyl]carbonylpiperidine-4-carboxylate

Systemtic Name: (4-bromanyl-2-fluoranyl-phenyl)methyl 1-[4-(trifluoromethyl)phenyl]carbonylpiperidine-4-carboxylate Openeye Name: (4-bromo-2-fluoro-phenyl)methyl 1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxylate CAS Name: 1-[oxo-[4-(trifluoromethyl)phenyl]methyl]-4-piperidinecarboxylic acid (4-bromo-2-fluorophenyl)methyl ester IUPAC Name: (4-bromo-2-fluorophenyl)methyl 1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxylate Traditional Name: 1-[4-(trifluoromethyl)benzoyl]isonipecotic acid (4-bromo-2-fluoro-benzyl) ester Formula: C21H18BrF4NO3 MolecularWeight: 488.270133

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC2=C(C=C(C=C2)Br)F)C(=O)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

C1CN(CCC1C(=O)OCC2=C(C=C(C=C2)Br)F)C(=O)C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C21H18BrF4NO3/c22-17-6-3-15(18(23)11-17)12-30-20(29)14-7-9-27(10-8-14)19(28)13-1-4-16(5-2-13)21(24,25)26/h1-6,11,14H,7-10,12H2