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

Systemtic Name: 1-cyclopropyl-7-(1,3-dihydroisoindol-2-yl)-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6-fluoro-7-isoindolin-2-yl-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-7-(1,3-dihydroisoindol-2-yl)-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-7-(1,3-dihydroisoindol-2-yl)-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6-fluoro-7-isoindolin-2-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)N4CC5=CC=CC=C5C4)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CC5=CC=CC=C5C4)F)C(=O)O

InChI

InChI=1S/C21H17FN2O3/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/h1-4,7-8,11,14H,5-6,9-10H2,(H,26,27)