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

Systemtic Name: [3-[4-(1-cyclopropyl-6-fluoranyl-8-methoxy-4-oxidanylidene-3-prop-2-enoxycarbonyl-quinolin-7-yl)-2-methyl-piperazin-1-yl]-3-oxidanylidene-1-phosphono-propyl]phosphonic acid Openeye Name: [3-[4-(3-allyloxycarbonyl-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-7-quinolyl)-2-methyl-piperazin-1-yl]-3-oxo-1-phosphono-propyl]phosphonic acid CAS Name: [3-[4-[1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-3-[oxo(prop-2-enoxy)methyl]-7-quinolinyl]-2-methyl-1-piperazinyl]-3-oxo-1-phosphonopropyl]phosphonic acid IUPAC Name: [3-[4-(1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-3-prop-2-enoxycarbonylquinolin-7-yl)-2-methylpiperazin-1-yl]-3-oxo-1-phosphonopropyl]phosphonic acid Traditional Name: [3-[4-(3-allyloxycarbonyl-1-cyclopropyl-6-fluoro-4-keto-8-methoxy-7-quinolyl)-2-methyl-piperazino]-3-keto-1-phosphono-propyl]phosphonic acid Formula: C25H32FN3O11P2 MolecularWeight: 631.481005

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)CC(P(=O)(O)O)P(=O)(O)O)C2=C(C=C3C(=C2OC)N(C=C(C3=O)C(=O)OCC=C)C4CC4)F

Isomeric SMILES

CC1CN(CCN1C(=O)CC(P(=O)(O)O)P(=O)(O)O)C2=C(C=C3C(=C2OC)N(C=C(C3=O)C(=O)OCC=C)C4CC4)F

InChI

InChI=1S/C25H32FN3O11P2/c1-4-9-40-25(32)17-13-29(15-5-6-15)21-16(23(17)31)10-18(26)22(24(21)39-3)27-7-8-28(14(2)12-27)19(30)11-20(41(33,34)35)42(36,37)38/h4,10,13-15,20H,1,5-9,11-12H2,2-3H3,(H2,33,34,35)(H2,36,37,38)