7-(2,3-dihydro-1H-isoindol-5-yl)-6-fluoranyl-8-methyl-1-(oxetan-3-yl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-(2,3-dihydro-1H-isoindol-5-yl)-6-fluoranyl-8-methyl-1-(oxetan-3-yl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 6-fluoro-7-isoindolin-5-yl-8-methyl-1-(oxetan-3-yl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-(2,3-dihydro-1H-isoindol-5-yl)-6-fluoro-8-methyl-1-(3-oxetanyl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-(2,3-dihydro-1H-isoindol-5-yl)-6-fluoro-8-methyl-1-(oxetan-3-yl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 6-fluoro-7-isoindolin-5-yl-4-keto-8-methyl-1-(oxetan-3-yl)quinoline-3-carboxylic acid Formula: C22H19FN2O4 MolecularWeight: 394.395663

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1C3=CC4=C(CNC4)C=C3)F)C(=O)C(=CN2C5COC5)C(=O)O

Isomeric SMILES

CC1=C2C(=CC(=C1C3=CC4=C(CNC4)C=C3)F)C(=O)C(=CN2C5COC5)C(=O)O

InChI

InChI=1S/C22H19FN2O4/c1-11-19(12-2-3-13-6-24-7-14(13)4-12)18(23)5-16-20(11)25(15-9-29-10-15)8-17(21(16)26)22(27)28/h2-5,8,15,24H,6-7,9-10H2,1H3,(H,27,28)