7-[4,7-bis(fluoranyl)-2,3-dihydro-1H-isoindol-5-yl]-1-cyclopropyl-6-fluoranyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[4,7-bis(fluoranyl)-2,3-dihydro-1H-isoindol-5-yl]-1-cyclopropyl-6-fluoranyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-7-(4,7-difluoroisoindolin-5-yl)-6-fluoro-8-methoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-7-(4,7-difluoro-2,3-dihydro-1H-isoindol-5-yl)-6-fluoro-8-methoxy-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-7-(4,7-difluoro-2,3-dihydro-1H-isoindol-5-yl)-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-7-(4,7-difluoroisoindolin-5-yl)-6-fluoro-4-keto-8-methoxy-quinoline-3-carboxylic acid Formula: C22H17F3N2O4 MolecularWeight: 430.37659

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC(=C1C3=CC(=C4CNCC4=C3F)F)F)C(=O)C(=CN2C5CC5)C(=O)O

Isomeric SMILES

COC1=C2C(=CC(=C1C3=CC(=C4CNCC4=C3F)F)F)C(=O)C(=CN2C5CC5)C(=O)O

InChI

InChI=1S/C22H17F3N2O4/c1-31-21-17(10-4-15(23)12-6-26-7-13(12)18(10)25)16(24)5-11-19(21)27(9-2-3-9)8-14(20(11)28)22(29)30/h4-5,8-9,26H,2-3,6-7H2,1H3,(H,29,30)