[2-oxidanylidene-2-[[3-(trifluoromethyl)phenyl]amino]ethyl] 2-pyridin-4-ylquinoline-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-[[3-(trifluoromethyl)phenyl]amino]ethyl] 2-pyridin-4-ylquinoline-4-carboxylate Openeye Name: [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 2-(4-pyridyl)quinoline-4-carboxylate CAS Name: 2-pyridin-4-yl-4-quinolinecarboxylic acid [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 2-pyridin-4-ylquinoline-4-carboxylate Traditional Name: 2-(4-pyridyl)cinchoninic acid [2-keto-2-[3-(trifluoromethyl)anilino]ethyl] ester Formula: C24H16F3N3O3 MolecularWeight: 451.39735

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=NC=C3)C(=O)OCC(=O)NC4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=NC=C3)C(=O)OCC(=O)NC4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C24H16F3N3O3/c25-24(26,27)16-4-3-5-17(12-16)29-22(31)14-33-23(32)19-13-21(15-8-10-28-11-9-15)30-20-7-2-1-6-18(19)20/h1-13H,14H2,(H,29,31)