7-[4-(4-ethoxy-4-oxidanylidene-butyl)piperazin-1-yl]-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[4-(4-ethoxy-4-oxidanylidene-butyl)piperazin-1-yl]-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[4-(4-ethoxy-4-oxo-butyl)piperazin-1-yl]-1-ethyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[4-(4-ethoxy-4-oxobutyl)-1-piperazinyl]-1-ethyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[4-(4-ethoxy-4-oxobutyl)piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[4-(4-ethoxy-4-keto-butyl)piperazino]-1-ethyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C22H28FN3O5 MolecularWeight: 433.473223

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28FN3O5/c1-3-25-14-16(22(29)30)21(28)15-12-17(23)19(13-18(15)25)26-10-8-24(9-11-26)7-5-6-20(27)31-4-2/h12-14H,3-11H2,1-2H3,(H,29,30)