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

Systemtic Name: 1-cyclopropyl-7-(2,3-dihydro-1H-isoindol-5-yl)-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6-fluoro-7-isoindolin-5-yl-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-7-(2,3-dihydro-1H-isoindol-5-yl)-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-7-(2,3-dihydro-1H-isoindol-5-yl)-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6-fluoro-7-isoindolin-5-yl-4-keto-quinoline-3-carboxylic acid Formula: C21H17FN2O3 MolecularWeight: 364.369683

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)C4=CC5=C(CNC5)C=C4)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)C4=CC5=C(CNC5)C=C4)F)C(=O)O

InChI

InChI=1S/C21H17FN2O3/c22-18-6-16-19(24(14-3-4-14)10-17(20(16)25)21(26)27)7-15(18)11-1-2-12-8-23-9-13(12)5-11/h1-2,5-7,10,14,23H,3-4,8-9H2,(H,26,27)