[1-[3,4-bis(fluoranyl)phenyl]-1-oxidanylidene-propan-2-yl] 2,6-dimethylquinoline-4-carboxylate

Systemtic Name: [1-[3,4-bis(fluoranyl)phenyl]-1-oxidanylidene-propan-2-yl] 2,6-dimethylquinoline-4-carboxylate Openeye Name: [2-(3,4-difluorophenyl)-1-methyl-2-oxo-ethyl] 2,6-dimethylquinoline-4-carboxylate CAS Name: 2,6-dimethyl-4-quinolinecarboxylic acid [1-(3,4-difluorophenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3,4-difluorophenyl)-1-oxopropan-2-yl] 2,6-dimethylquinoline-4-carboxylate Traditional Name: 2,6-dimethylcinchoninic acid [2-(3,4-difluorophenyl)-2-keto-1-methyl-ethyl] ester Formula: C21H17F2NO3 MolecularWeight: 369.361386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C=C2C(=O)OC(C)C(=O)C3=CC(=C(C=C3)F)F)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2C(=O)OC(C)C(=O)C3=CC(=C(C=C3)F)F)C

InChI

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