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

Systemtic Name: 1-cyclopropyl-6,8-bis(fluoranyl)-7-(5-methoxy-1,3-dihydroisoindol-2-yl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6,8-difluoro-7-(5-methoxyisoindolin-2-yl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6,8-difluoro-7-(5-methoxy-1,3-dihydroisoindol-2-yl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6,8-difluoro-7-(5-methoxy-1,3-dihydroisoindol-2-yl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6,8-difluoro-4-keto-7-(5-methoxyisoindolin-2-yl)quinoline-3-carboxylic acid Formula: C22H18F2N2O4 MolecularWeight: 412.386126

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(CN(C2)C3=C(C=C4C(=C3F)N(C=C(C4=O)C(=O)O)C5CC5)F)C=C1

Isomeric SMILES

COC1=CC2=C(CN(C2)C3=C(C=C4C(=C3F)N(C=C(C4=O)C(=O)O)C5CC5)F)C=C1

InChI

InChI=1S/C22H18F2N2O4/c1-30-14-5-2-11-8-25(9-12(11)6-14)20-17(23)7-15-19(18(20)24)26(13-3-4-13)10-16(21(15)27)22(28)29/h2,5-7,10,13H,3-4,8-9H2,1H3,(H,28,29)