(2,5-dimethylphenyl)methyl 1-[5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxylate

Systemtic Name: (2,5-dimethylphenyl)methyl 1-[5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxylate Openeye Name: (2,5-dimethylphenyl)methyl 1-[5-(trifluoromethyl)-2-pyridyl]piperidine-4-carboxylate CAS Name: 1-[5-(trifluoromethyl)-2-pyridinyl]-4-piperidinecarboxylic acid (2,5-dimethylphenyl)methyl ester IUPAC Name: (2,5-dimethylphenyl)methyl 1-[5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxylate Traditional Name: 1-[5-(trifluoromethyl)-2-pyridyl]isonipecotic acid (2,5-dimethylbenzyl) ester Formula: C21H23F3N2O2 MolecularWeight: 392.41473

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)COC(=O)C2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F

Isomeric SMILES

CC1=CC(=C(C=C1)C)COC(=O)C2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C21H23F3N2O2/c1-14-3-4-15(2)17(11-14)13-28-20(27)16-7-9-26(10-8-16)19-6-5-18(12-25-19)21(22,23)24/h3-6,11-12,16H,7-10,13H2,1-2H3