7-(2,3-dihydro-1H-isoindol-5-yl)-6-fluoranyl-8-methoxy-1-(oxetan-3-yl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-(2,3-dihydro-1H-isoindol-5-yl)-6-fluoranyl-8-methoxy-1-(oxetan-3-yl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 6-fluoro-7-isoindolin-5-yl-8-methoxy-1-(oxetan-3-yl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-(2,3-dihydro-1H-isoindol-5-yl)-6-fluoro-8-methoxy-1-(3-oxetanyl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-(2,3-dihydro-1H-isoindol-5-yl)-6-fluoro-8-methoxy-1-(oxetan-3-yl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 6-fluoro-7-isoindolin-5-yl-4-keto-8-methoxy-1-(oxetan-3-yl)quinoline-3-carboxylic acid Formula: C22H19FN2O5 MolecularWeight: 410.395063

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC(=C1C3=CC4=C(CNC4)C=C3)F)C(=O)C(=CN2C5COC5)C(=O)O

Isomeric SMILES

COC1=C2C(=CC(=C1C3=CC4=C(CNC4)C=C3)F)C(=O)C(=CN2C5COC5)C(=O)O

InChI

InChI=1S/C22H19FN2O5/c1-29-21-18(11-2-3-12-6-24-7-13(12)4-11)17(23)5-15-19(21)25(14-9-30-10-14)8-16(20(15)26)22(27)28/h2-5,8,14,24H,6-7,9-10H2,1H3,(H,27,28)