7-[4-[4,4-bis(diethoxyphosphoryl)butanoyloxymethoxycarbonyl]-3-methyl-piperazin-1-yl]-1-cyclopropyl-6-fluoranyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[4-[4,4-bis(diethoxyphosphoryl)butanoyloxymethoxycarbonyl]-3-methyl-piperazin-1-yl]-1-cyclopropyl-6-fluoranyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[4-[4,4-bis(diethoxyphosphoryl)butanoyloxymethoxycarbonyl]-3-methyl-piperazin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[4-[[4,4-bis(diethoxyphosphoryl)-1-oxobutoxy]methoxy-oxomethyl]-3-methyl-1-piperazinyl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[4-[4,4-bis(diethoxyphosphoryl)butanoyloxymethoxycarbonyl]-3-methylpiperazin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[4-[4,4-bis(diethoxyphosphoryl)butanoyloxymethoxycarbonyl]-3-methyl-piperazino]-1-cyclopropyl-6-fluoro-4-keto-8-methoxy-quinoline-3-carboxylic acid Formula: C33H48FN3O14P2 MolecularWeight: 791.691845

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(CCC(=O)OCOC(=O)N1CCN(CC1C)C2=C(C=C3C(=C2OC)N(C=C(C3=O)C(=O)O)C4CC4)F)P(=O)(OCC)OCC)OCC

Isomeric SMILES

CCOP(=O)(C(CCC(=O)OCOC(=O)N1CCN(CC1C)C2=C(C=C3C(=C2OC)N(C=C(C3=O)C(=O)O)C4CC4)F)P(=O)(OCC)OCC)OCC

InChI

InChI=1S/C33H48FN3O14P2/c1-7-48-52(43,49-8-2)27(53(44,50-9-3)51-10-4)14-13-26(38)46-20-47-33(42)36-16-15-35(18-21(36)5)29-25(34)17-23-28(31(29)45-6)37(22-11-12-22)19-24(30(23)39)32(40)41/h17,19,21-22,27H,7-16,18,20H2,1-6H3,(H,40,41)