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

Systemtic Name: 1-ethyl-6,8-bis(fluoranyl)-7-(2-methyl-1,3-dihydroisoindol-5-yl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6,8-difluoro-7-(2-methylisoindolin-5-yl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-ethyl-6,8-difluoro-7-(2-methyl-1,3-dihydroisoindol-5-yl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6,8-difluoro-7-(2-methyl-1,3-dihydroisoindol-5-yl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-ethyl-6,8-difluoro-4-keto-7-(2-methylisoindolin-5-yl)quinoline-3-carboxylic acid Formula: C21H18F2N2O3 MolecularWeight: 384.376026

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C(=C21)F)C3=CC4=C(CN(C4)C)C=C3)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C(=C21)F)C3=CC4=C(CN(C4)C)C=C3)F)C(=O)O

InChI

InChI=1S/C21H18F2N2O3/c1-3-25-10-15(21(27)28)20(26)14-7-16(22)17(18(23)19(14)25)11-4-5-12-8-24(2)9-13(12)6-11/h4-7,10H,3,8-9H2,1-2H3,(H,27,28)