[[2-(1-cyclopropyl-6-fluoranyl-8-methoxy-4-oxidanylidene-7-piperazin-1-yl-quinolin-3-yl)carbonyloxyethanoylamino]-phosphono-methyl]phosphonic acid

Systemtic Name: [[2-(1-cyclopropyl-6-fluoranyl-8-methoxy-4-oxidanylidene-7-piperazin-1-yl-quinolin-3-yl)carbonyloxyethanoylamino]-phosphono-methyl]phosphonic acid Openeye Name: [[[2-(1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-7-piperazin-1-yl-quinoline-3-carbonyl)oxyacetyl]amino]-phosphono-methyl]phosphonic acid CAS Name: [[[2-[[1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-7-(1-piperazinyl)-3-quinolinyl]-oxomethoxy]-1-oxoethyl]amino]-phosphonomethyl]phosphonic acid IUPAC Name: [[[2-(1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-7-piperazin-1-ylquinoline-3-carbonyl)oxyacetyl]amino]-phosphonomethyl]phosphonic acid Traditional Name: [[[2-(1-cyclopropyl-6-fluoro-4-keto-8-methoxy-7-piperazino-quinoline-3-carbonyl)oxyacetyl]amino]-phosphono-methyl]phosphonic acid Formula: C21H27FN4O11P2 MolecularWeight: 592.405205

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC(=C1N3CCNCC3)F)C(=O)C(=CN2C4CC4)C(=O)OCC(=O)NC(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

COC1=C2C(=CC(=C1N3CCNCC3)F)C(=O)C(=CN2C4CC4)C(=O)OCC(=O)NC(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C21H27FN4O11P2/c1-36-19-16-12(8-14(22)17(19)25-6-4-23-5-7-25)18(28)13(9-26(16)11-2-3-11)20(29)37-10-15(27)24-21(38(30,31)32)39(33,34)35/h8-9,11,21,23H,2-7,10H2,1H3,(H,24,27)(H2,30,31,32)(H2,33,34,35)