[2-[[2,5-bis(fluoranyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-pyridin-2-ylquinoline-4-carboxylate

Systemtic Name: [2-[[2,5-bis(fluoranyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-pyridin-2-ylquinoline-4-carboxylate Openeye Name: [2-(2,5-difluoroanilino)-2-oxo-ethyl] 2-(2-pyridyl)quinoline-4-carboxylate CAS Name: 2-(2-pyridinyl)-4-quinolinecarboxylic acid [2-(2,5-difluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,5-difluoroanilino)-2-oxoethyl] 2-pyridin-2-ylquinoline-4-carboxylate Traditional Name: 2-(2-pyridyl)cinchoninic acid [2-(2,5-difluoroanilino)-2-keto-ethyl] ester Formula: C23H15F2N3O3 MolecularWeight: 419.380306

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CC=N3)C(=O)OCC(=O)NC4=C(C=CC(=C4)F)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CC=N3)C(=O)OCC(=O)NC4=C(C=CC(=C4)F)F

InChI

InChI=1S/C23H15F2N3O3/c24-14-8-9-17(25)20(11-14)28-22(29)13-31-23(30)16-12-21(19-7-3-4-10-26-19)27-18-6-2-1-5-15(16)18/h1-12H,13H2,(H,28,29)