[2-[2,5-bis(fluoranyl)phenyl]-2-oxidanylidene-ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate

Systemtic Name: [2-[2,5-bis(fluoranyl)phenyl]-2-oxidanylidene-ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate Openeye Name: [2-(2,5-difluorophenyl)-2-oxo-ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate CAS Name: 2-ethyl-3-methyl-4-quinolinecarboxylic acid [2-(2,5-difluorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-difluorophenyl)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate Traditional Name: 2-ethyl-3-methyl-cinchoninic acid [2-(2,5-difluorophenyl)-2-keto-ethyl] ester Formula: C21H17F2NO3 MolecularWeight: 369.361386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17F2NO3/c1-3-17-12(2)20(14-6-4-5-7-18(14)24-17)21(26)27-11-19(25)15-10-13(22)8-9-16(15)23/h4-10H,3,11H2,1-2H3