5-azanyl-1-cyclopropyl-6,8-bis(fluoranyl)-4-oxidanylidene-7-(4-propanoyloxypiperidin-1-yl)quinoline-3-carboxylic acid

Systemtic Name: 5-azanyl-1-cyclopropyl-6,8-bis(fluoranyl)-4-oxidanylidene-7-(4-propanoyloxypiperidin-1-yl)quinoline-3-carboxylic acid Openeye Name: 5-amino-1-cyclopropyl-6,8-difluoro-4-oxo-7-(4-propanoyloxy-1-piperidyl)quinoline-3-carboxylic acid CAS Name: 5-amino-1-cyclopropyl-6,8-difluoro-4-oxo-7-[4-(1-oxopropoxy)-1-piperidinyl]-3-quinolinecarboxylic acid IUPAC Name: 5-amino-1-cyclopropyl-6,8-difluoro-4-oxo-7-(4-propanoyloxypiperidin-1-yl)quinoline-3-carboxylic acid Traditional Name: 5-amino-1-cyclopropyl-6,8-difluoro-4-keto-7-(4-propionyloxypiperidino)quinoline-3-carboxylic acid Formula: C21H23F2N3O5 MolecularWeight: 435.421226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1CCN(CC1)C2=C(C3=C(C(=C2F)N)C(=O)C(=CN3C4CC4)C(=O)O)F

Isomeric SMILES

CCC(=O)OC1CCN(CC1)C2=C(C3=C(C(=C2F)N)C(=O)C(=CN3C4CC4)C(=O)O)F

InChI

InChI=1S/C21H23F2N3O5/c1-2-13(27)31-11-5-7-25(8-6-11)19-15(22)17(24)14-18(16(19)23)26(10-3-4-10)9-12(20(14)28)21(29)30/h9-11H,2-8,24H2,1H3,(H,29,30)