[2-oxidanylidene-2-[[2,3,4-tris(fluoranyl)phenyl]amino]ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-[[2,3,4-tris(fluoranyl)phenyl]amino]ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate Openeye Name: [2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate CAS Name: 2-ethyl-3-methyl-4-quinolinecarboxylic acid [2-oxo-2-(2,3,4-trifluoroanilino)ethyl] ester IUPAC Name: [2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-ethyl-3-methylquinoline-4-carboxylate Traditional Name: 2-ethyl-3-methyl-cinchoninic acid [2-keto-2-(2,3,4-trifluoroanilino)ethyl] ester Formula: C21H17F3N2O3 MolecularWeight: 402.36649

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCC(=O)NC3=C(C(=C(C=C3)F)F)F

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCC(=O)NC3=C(C(=C(C=C3)F)F)F

InChI

InChI=1S/C21H17F3N2O3/c1-3-14-11(2)18(12-6-4-5-7-15(12)25-14)21(28)29-10-17(27)26-16-9-8-13(22)19(23)20(16)24/h4-9H,3,10H2,1-2H3,(H,26,27)