(2,5-dimethoxyphenyl)methyl 1-[4-(trifluoromethyl)phenyl]carbonylpiperidine-4-carboxylate

Systemtic Name: (2,5-dimethoxyphenyl)methyl 1-[4-(trifluoromethyl)phenyl]carbonylpiperidine-4-carboxylate Openeye Name: (2,5-dimethoxyphenyl)methyl 1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxylate CAS Name: 1-[oxo-[4-(trifluoromethyl)phenyl]methyl]-4-piperidinecarboxylic acid (2,5-dimethoxyphenyl)methyl ester IUPAC Name: (2,5-dimethoxyphenyl)methyl 1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxylate Traditional Name: 1-[4-(trifluoromethyl)benzoyl]isonipecotic acid (2,5-dimethoxybenzyl) ester Formula: C23H24F3NO5 MolecularWeight: 451.43557

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24F3NO5/c1-30-19-7-8-20(31-2)17(13-19)14-32-22(29)16-9-11-27(12-10-16)21(28)15-3-5-18(6-4-15)23(24,25)26/h3-8,13,16H,9-12,14H2,1-2H3