1-ethyl-6-fluoranyl-4-oxidanylidene-7-[4-[(4-oxidanyl-4-oxidanylidene-butanoyl)oxymethoxycarbonyl]piperazin-1-yl]quinoline-3-carboxylic acid

Systemtic Name: 1-ethyl-6-fluoranyl-4-oxidanylidene-7-[4-[(4-oxidanyl-4-oxidanylidene-butanoyl)oxymethoxycarbonyl]piperazin-1-yl]quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6-fluoro-7-[4-[(4-hydroxy-4-oxo-butanoyl)oxymethoxycarbonyl]piperazin-1-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-7-[4-[(4-hydroxy-1,4-dioxobutoxy)methoxy-oxomethyl]-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6-fluoro-7-[4-[(4-hydroxy-4-oxobutanoyl)oxymethoxycarbonyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-ethyl-6-fluoro-7-[4-[(4-hydroxy-4-keto-butanoyl)oxymethoxycarbonyl]piperazino]-4-keto-quinoline-3-carboxylic acid Formula: C22H24FN3O9 MolecularWeight: 493.439063

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=O)OCOC(=O)CCC(=O)O)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=O)OCOC(=O)CCC(=O)O)F)C(=O)O

InChI

InChI=1S/C22H24FN3O9/c1-2-24-11-14(21(31)32)20(30)13-9-15(23)17(10-16(13)24)25-5-7-26(8-6-25)22(33)35-12-34-19(29)4-3-18(27)28/h9-11H,2-8,12H2,1H3,(H,27,28)(H,31,32)