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

Systemtic Name: [2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl] 2-[[3-(trifluoromethyl)phenyl]amino]pyridine-3-carboxylate Openeye Name: [2-(4-methyl-1-piperidyl)-2-oxo-ethyl] 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate CAS Name: 2-[3-(trifluoromethyl)anilino]-3-pyridinecarboxylic acid [2-(4-methyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate Traditional Name: 2-[3-(trifluoromethyl)anilino]nicotinic acid [2-keto-2-(4-methylpiperidino)ethyl] ester Formula: C21H22F3N3O3 MolecularWeight: 421.41289

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)COC(=O)C2=C(N=CC=C2)NC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CC1CCN(CC1)C(=O)COC(=O)C2=C(N=CC=C2)NC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C21H22F3N3O3/c1-14-7-10-27(11-8-14)18(28)13-30-20(29)17-6-3-9-25-19(17)26-16-5-2-4-15(12-16)21(22,23)24/h2-6,9,12,14H,7-8,10-11,13H2,1H3,(H,25,26)