[6-[(3-carboxyoxy-6-fluoranyl-1-methyl-4-oxidanylidene-quinolin-7-yl)amino]-1-phosphono-hexyl]phosphonic acid

Systemtic Name: [6-[(3-carboxyoxy-6-fluoranyl-1-methyl-4-oxidanylidene-quinolin-7-yl)amino]-1-phosphono-hexyl]phosphonic acid Openeye Name: [6-[(3-carboxyoxy-6-fluoro-1-methyl-4-oxo-7-quinolyl)amino]-1-phosphono-hexyl]phosphonic acid CAS Name: [6-[(3-carboxyoxy-6-fluoro-1-methyl-4-oxo-7-quinolinyl)amino]-1-phosphonohexyl]phosphonic acid IUPAC Name: [6-[(3-carboxyoxy-6-fluoro-1-methyl-4-oxoquinolin-7-yl)amino]-1-phosphonohexyl]phosphonic acid Traditional Name: [6-[(3-carboxyoxy-6-fluoro-4-keto-1-methyl-7-quinolyl)amino]-1-phosphono-hexyl]phosphonic acid Formula: C17H23FN2O10P2 MolecularWeight: 496.317845

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=O)C2=CC(=C(C=C21)NCCCCCC(P(=O)(O)O)P(=O)(O)O)F)OC(=O)O

Isomeric SMILES

CN1C=C(C(=O)C2=CC(=C(C=C21)NCCCCCC(P(=O)(O)O)P(=O)(O)O)F)OC(=O)O

InChI

InChI=1S/C17H23FN2O10P2/c1-20-9-14(30-17(22)23)16(21)10-7-11(18)12(8-13(10)20)19-6-4-2-3-5-15(31(24,25)26)32(27,28)29/h7-9,15,19H,2-6H2,1H3,(H,22,23)(H2,24,25,26)(H2,27,28,29)