[(2S)-1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] 2-(4-fluorophenyl)quinoline-4-carboxylate

Systemtic Name: [(2S)-1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] 2-(4-fluorophenyl)quinoline-4-carboxylate Openeye Name: [(1S)-1-methyl-2-oxo-2-(p-tolyl)ethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate CAS Name: 2-(4-fluorophenyl)-4-quinolinecarboxylic acid [(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] 2-(4-fluorophenyl)quinoline-4-carboxylate Traditional Name: 2-(4-fluorophenyl)cinchoninic acid [(1S)-2-keto-1-methyl-2-(p-tolyl)ethyl] ester Formula: C26H20FNO3 MolecularWeight: 413.440303

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)[C@H](C)OC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)F

InChI

InChI=1S/C26H20FNO3/c1-16-7-9-19(10-8-16)25(29)17(2)31-26(30)22-15-24(18-11-13-20(27)14-12-18)28-23-6-4-3-5-21(22)23/h3-15,17H,1-2H3/t17-/m0/s1