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

Systemtic Name: 7-(1,3,3a,4,7,7a-hexahydroisoindol-2-yl)-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid; 1-cyclopropyl-6,7-bis(fluoranyl)-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-(1,3,3a,4,7,7a-hexahydroisoindol-2-yl)-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid; 1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-(1,3,3a,4,7,7a-hexahydroisoindol-2-yl)-1-cyclopropyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid; 1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-(1,3,3a,4,7,7a-hexahydroisoindol-2-yl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid; 1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-(1,3,3a,4,7,7a-hexahydroisoindol-2-yl)-1-cyclopropyl-6-fluoro-4-keto-quinoline-3-carboxylic acid; 1-cyclopropyl-6,7-difluoro-4-keto-8-methoxy-quinoline-3-carboxylic acid Formula: C35H32F3N3O7 MolecularWeight: 663.63969

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC(=C1F)F)C(=O)C(=CN2C3CC3)C(=O)O.C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CC5CC=CCC5C4)F)C(=O)O

Isomeric SMILES

COC1=C2C(=CC(=C1F)F)C(=O)C(=CN2C3CC3)C(=O)O.C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CC5CC=CCC5C4)F)C(=O)O

InChI

InChI=1S/C21H21FN2O3.C14H11F2NO4/c22-17-7-15-18(24(14-5-6-14)11-16(20(15)25)21(26)27)8-19(17)23-9-12-3-1-2-4-13(12)10-23;1-21-13-10(16)9(15)4-7-11(13)17(6-2-3-6)5-8(12(7)18)14(19)20/h1-2,7-8,11-14H,3-6,9-10H2,(H,26,27);4-6H,2-3H2,1H3,(H,19,20)