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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1CN(C2)C3=C(C4=C(C(=C3F)N)C(=O)C(=CN4C5CC5)C(=O)O)F

Isomeric SMILES

COC1=CC=CC2=C1CN(C2)C3=C(C4=C(C(=C3F)N)C(=O)C(=CN4C5CC5)C(=O)O)F

InChI

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