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

Systemtic Name: [[2-[1-cyclopropyl-6-fluoranyl-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxidanylidene-quinolin-3-yl]carbonyloxyethanoylamino]-phosphono-methyl]phosphonic acid Openeye Name: [[[2-[1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxo-quinoline-3-carbonyl]oxyacetyl]amino]-phosphono-methyl]phosphonic acid CAS Name: [[[2-[[1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methyl-1-piperazinyl)-4-oxo-3-quinolinyl]-oxomethoxy]-1-oxoethyl]amino]-phosphonomethyl]phosphonic acid IUPAC Name: [[[2-[1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carbonyl]oxyacetyl]amino]-phosphonomethyl]phosphonic acid Traditional Name: [[[2-[1-cyclopropyl-6-fluoro-4-keto-8-methoxy-7-(3-methylpiperazino)quinoline-3-carbonyl]oxyacetyl]amino]-phosphono-methyl]phosphonic acid Formula: C22H29FN4O11P2 MolecularWeight: 606.431785

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1)C2=C(C=C3C(=C2OC)N(C=C(C3=O)C(=O)OCC(=O)NC(P(=O)(O)O)P(=O)(O)O)C4CC4)F

Isomeric SMILES

CC1CN(CCN1)C2=C(C=C3C(=C2OC)N(C=C(C3=O)C(=O)OCC(=O)NC(P(=O)(O)O)P(=O)(O)O)C4CC4)F

InChI

InChI=1S/C22H29FN4O11P2/c1-11-8-26(6-5-24-11)18-15(23)7-13-17(20(18)37-2)27(12-3-4-12)9-14(19(13)29)21(30)38-10-16(28)25-22(39(31,32)33)40(34,35)36/h7,9,11-12,22,24H,3-6,8,10H2,1-2H3,(H,25,28)(H2,31,32,33)(H2,34,35,36)