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

Systemtic Name: 7-[4,7-bis(fluoranyl)-2,3-dihydro-1H-isoindol-5-yl]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-7-(4,7-difluoroisoindolin-5-yl)-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-7-(4,7-difluoro-2,3-dihydro-1H-isoindol-5-yl)-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-7-(4,7-difluoro-2,3-dihydro-1H-isoindol-5-yl)-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-7-(4,7-difluoroisoindolin-5-yl)-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C21H15F3N2O3 MolecularWeight: 400.35061

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)C4=CC(=C5CNCC5=C4F)F)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)C4=CC(=C5CNCC5=C4F)F)F)C(=O)O

InChI

InChI=1S/C21H15F3N2O3/c22-16-4-12-18(26(9-1-2-9)8-15(20(12)27)21(28)29)5-10(16)11-3-17(23)13-6-25-7-14(13)19(11)24/h3-5,8-9,25H,1-2,6-7H2,(H,28,29)