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

Systemtic Name: 5-azanyl-1-cyclopropyl-6,8-bis(fluoranyl)-7-(5-methoxy-1,3-dihydroisoindol-2-yl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 5-amino-1-cyclopropyl-6,8-difluoro-7-(5-methoxyisoindolin-2-yl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 5-amino-1-cyclopropyl-6,8-difluoro-7-(5-methoxy-1,3-dihydroisoindol-2-yl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 5-amino-1-cyclopropyl-6,8-difluoro-7-(5-methoxy-1,3-dihydroisoindol-2-yl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 5-amino-1-cyclopropyl-6,8-difluoro-4-keto-7-(5-methoxyisoindolin-2-yl)quinoline-3-carboxylic acid Formula: C22H19F2N3O4 MolecularWeight: 427.400766

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(CN(C2)C3=C(C4=C(C(=C3F)N)C(=O)C(=CN4C5CC5)C(=O)O)F)C=C1

Isomeric SMILES

COC1=CC2=C(CN(C2)C3=C(C4=C(C(=C3F)N)C(=O)C(=CN4C5CC5)C(=O)O)F)C=C1

InChI

InChI=1S/C22H19F2N3O4/c1-31-13-5-2-10-7-26(8-11(10)6-13)20-16(23)18(25)15-19(17(20)24)27(12-3-4-12)9-14(21(15)28)22(29)30/h2,5-6,9,12H,3-4,7-8,25H2,1H3,(H,29,30)