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

Systemtic Name: 7-[4-(2-azanyl-7-oxidanyl-7-oxidanylidene-heptanoyl)piperazin-1-yl]-1-ethyl-6-fluoranyl-4-oxidanyl-4H-quinoline-3-carboxylic acid Openeye Name: 7-[4-(2-amino-7-hydroxy-7-oxo-heptanoyl)piperazin-1-yl]-1-ethyl-6-fluoro-4-hydroxy-4H-quinoline-3-carboxylic acid CAS Name: 7-[4-(2-amino-7-hydroxy-1,7-dioxoheptyl)-1-piperazinyl]-1-ethyl-6-fluoro-4-hydroxy-4H-quinoline-3-carboxylic acid IUPAC Name: 7-[4-(2-amino-7-hydroxy-7-oxoheptanoyl)piperazin-1-yl]-1-ethyl-6-fluoro-4-hydroxy-4H-quinoline-3-carboxylic acid Traditional Name: 7-[4-(2-amino-7-hydroxy-7-keto-heptanoyl)piperazino]-1-ethyl-6-fluoro-4-hydroxy-4H-quinoline-3-carboxylic acid Formula: C23H31FN4O6 MolecularWeight: 478.513843

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31FN4O6/c1-2-26-13-15(23(33)34)21(31)14-11-16(24)19(12-18(14)26)27-7-9-28(10-8-27)22(32)17(25)5-3-4-6-20(29)30/h11-13,17,21,31H,2-10,25H2,1H3,(H,29,30)(H,33,34)