methyl 4-methyl-2-[[2-oxidanylidene-5-(trifluoromethyl)pyridin-1-yl]methyl]quinoline-3-carboxylate

Systemtic Name: methyl 4-methyl-2-[[2-oxidanylidene-5-(trifluoromethyl)pyridin-1-yl]methyl]quinoline-3-carboxylate Openeye Name: methyl 4-methyl-2-[[2-oxo-5-(trifluoromethyl)-1-pyridyl]methyl]quinoline-3-carboxylate CAS Name: 4-methyl-2-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 4-methyl-2-[[2-oxo-5-(trifluoromethyl)pyridin-1-yl]methyl]quinoline-3-carboxylate Traditional Name: 2-[[2-keto-5-(trifluoromethyl)-1-pyridyl]methyl]-4-methyl-quinoline-3-carboxylic acid methyl ester Formula: C19H15F3N2O3 MolecularWeight: 376.32921

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)CN3C=C(C=CC3=O)C(F)(F)F)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)CN3C=C(C=CC3=O)C(F)(F)F)C(=O)OC

InChI

InChI=1S/C19H15F3N2O3/c1-11-13-5-3-4-6-14(13)23-15(17(11)18(26)27-2)10-24-9-12(19(20,21)22)7-8-16(24)25/h3-9H,10H2,1-2H3