7-[4-(2-azanyl-6-oxidanyl-6-oxidanylidene-hexanoyl)piperazin-1-yl]-1-ethyl-6-fluoranyl-4-oxidanyl-4H-quinoline-3-carboxylic acid

Systemtic Name: 7-[4-(2-azanyl-6-oxidanyl-6-oxidanylidene-hexanoyl)piperazin-1-yl]-1-ethyl-6-fluoranyl-4-oxidanyl-4H-quinoline-3-carboxylic acid Openeye Name: 7-[4-(2-amino-6-hydroxy-6-oxo-hexanoyl)piperazin-1-yl]-1-ethyl-6-fluoro-4-hydroxy-4H-quinoline-3-carboxylic acid CAS Name: 7-[4-(2-amino-6-hydroxy-1,6-dioxohexyl)-1-piperazinyl]-1-ethyl-6-fluoro-4-hydroxy-4H-quinoline-3-carboxylic acid IUPAC Name: 7-[4-(2-amino-6-hydroxy-6-oxohexanoyl)piperazin-1-yl]-1-ethyl-6-fluoro-4-hydroxy-4H-quinoline-3-carboxylic acid Traditional Name: 7-[4-(2-amino-6-hydroxy-6-keto-hexanoyl)piperazino]-1-ethyl-6-fluoro-4-hydroxy-4H-quinoline-3-carboxylic acid Formula: C22H29FN4O6 MolecularWeight: 464.487263

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(C2=CC(=C(C=C21)N3CCN(CC3)C(=O)C(CCCC(=O)O)N)F)O)C(=O)O

Isomeric SMILES

CCN1C=C(C(C2=CC(=C(C=C21)N3CCN(CC3)C(=O)C(CCCC(=O)O)N)F)O)C(=O)O

InChI

InChI=1S/C22H29FN4O6/c1-2-25-12-14(22(32)33)20(30)13-10-15(23)18(11-17(13)25)26-6-8-27(9-7-26)21(31)16(24)4-3-5-19(28)29/h10-12,16,20,30H,2-9,24H2,1H3,(H,28,29)(H,32,33)