(5-chloranyl-2-methoxy-phenyl)methyl 1-[4-(trifluoromethyl)phenyl]carbonylpiperidine-4-carboxylate

Systemtic Name: (5-chloranyl-2-methoxy-phenyl)methyl 1-[4-(trifluoromethyl)phenyl]carbonylpiperidine-4-carboxylate Openeye Name: (5-chloro-2-methoxy-phenyl)methyl 1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxylate CAS Name: 1-[oxo-[4-(trifluoromethyl)phenyl]methyl]-4-piperidinecarboxylic acid (5-chloro-2-methoxyphenyl)methyl ester IUPAC Name: (5-chloro-2-methoxyphenyl)methyl 1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxylate Traditional Name: 1-[4-(trifluoromethyl)benzoyl]isonipecotic acid (5-chloro-2-methoxy-benzyl) ester Formula: C22H21ClF3NO4 MolecularWeight: 455.85465

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)COC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)COC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C22H21ClF3NO4/c1-30-19-7-6-18(23)12-16(19)13-31-21(29)15-8-10-27(11-9-15)20(28)14-2-4-17(5-3-14)22(24,25)26/h2-7,12,15H,8-11,13H2,1H3