1-ethyl-6,8-bis(fluoranyl)-7-(5-methoxy-1,3-dihydroisoindol-2-yl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-ethyl-6,8-bis(fluoranyl)-7-(5-methoxy-1,3-dihydroisoindol-2-yl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6,8-difluoro-7-(5-methoxyisoindolin-2-yl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-ethyl-6,8-difluoro-7-(5-methoxy-1,3-dihydroisoindol-2-yl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6,8-difluoro-7-(5-methoxy-1,3-dihydroisoindol-2-yl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-ethyl-6,8-difluoro-4-keto-7-(5-methoxyisoindolin-2-yl)quinoline-3-carboxylic acid Formula: C21H18F2N2O4 MolecularWeight: 400.375426

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C(=C21)F)N3CC4=C(C3)C=C(C=C4)OC)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C(=C21)F)N3CC4=C(C3)C=C(C=C4)OC)F)C(=O)O

InChI

InChI=1S/C21H18F2N2O4/c1-3-24-10-15(21(27)28)20(26)14-7-16(22)19(17(23)18(14)24)25-8-11-4-5-13(29-2)6-12(11)9-25/h4-7,10H,3,8-9H2,1-2H3,(H,27,28)