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

Systemtic Name: [2-[4-[2-[1-cyclopropyl-6-fluoranyl-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxidanylidene-quinolin-3-yl]carbonyloxyethanoylamino]phenyl]-1-phosphono-ethyl]phosphonic acid Openeye Name: [2-[4-[[2-[1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxo-quinoline-3-carbonyl]oxyacetyl]amino]phenyl]-1-phosphono-ethyl]phosphonic acid CAS Name: [2-[4-[[2-[[1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methyl-1-piperazinyl)-4-oxo-3-quinolinyl]-oxomethoxy]-1-oxoethyl]amino]phenyl]-1-phosphonoethyl]phosphonic acid IUPAC Name: [2-[4-[[2-[1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carbonyl]oxyacetyl]amino]phenyl]-1-phosphonoethyl]phosphonic acid Traditional Name: [2-[4-[[2-[1-cyclopropyl-6-fluoro-4-keto-8-methoxy-7-(3-methylpiperazino)quinoline-3-carbonyl]oxyacetyl]amino]phenyl]-1-phosphono-ethyl]phosphonic acid Formula: C29H35FN4O11P2 MolecularWeight: 696.554325

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1)C2=C(C=C3C(=C2OC)N(C=C(C3=O)C(=O)OCC(=O)NC4=CC=C(C=C4)CC(P(=O)(O)O)P(=O)(O)O)C5CC5)F

Isomeric SMILES

CC1CN(CCN1)C2=C(C=C3C(=C2OC)N(C=C(C3=O)C(=O)OCC(=O)NC4=CC=C(C=C4)CC(P(=O)(O)O)P(=O)(O)O)C5CC5)F

InChI

InChI=1S/C29H35FN4O11P2/c1-16-13-33(10-9-31-16)26-22(30)12-20-25(28(26)44-2)34(19-7-8-19)14-21(27(20)36)29(37)45-15-23(35)32-18-5-3-17(4-6-18)11-24(46(38,39)40)47(41,42)43/h3-6,12,14,16,19,24,31H,7-11,13,15H2,1-2H3,(H,32,35)(H2,38,39,40)(H2,41,42,43)