[2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl] 4-oxidanyl-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxylate

Systemtic Name: [2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl] 4-oxidanyl-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxylate Openeye Name: [2-(4-methyl-1-piperidyl)-2-oxo-ethyl] 4-hydroxy-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxylate CAS Name: 4-hydroxy-1-[2-(trifluoromethyl)phenyl]-3-pyrazolecarboxylic acid [2-(4-methyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-hydroxy-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxylate Traditional Name: 4-hydroxy-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxylic acid [2-keto-2-(4-methylpiperidino)ethyl] ester Formula: C19H20F3N3O4 MolecularWeight: 411.37501

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)COC(=O)C2=NN(C=C2O)C3=CC=CC=C3C(F)(F)F

Isomeric SMILES

CC1CCN(CC1)C(=O)COC(=O)C2=NN(C=C2O)C3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C19H20F3N3O4/c1-12-6-8-24(9-7-12)16(27)11-29-18(28)17-15(26)10-25(23-17)14-5-3-2-4-13(14)19(20,21)22/h2-5,10,12,26H,6-9,11H2,1H3