1-ethyl-6-fluoranyl-4-oxidanylidene-7-(4-prop-2-enoxycarbonylpiperazin-1-yl)quinoline-3-carboxylic acid

Systemtic Name: 1-ethyl-6-fluoranyl-4-oxidanylidene-7-(4-prop-2-enoxycarbonylpiperazin-1-yl)quinoline-3-carboxylic acid Openeye Name: 7-(4-allyloxycarbonylpiperazin-1-yl)-1-ethyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-4-oxo-7-[4-[oxo(prop-2-enoxy)methyl]-1-piperazinyl]-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6-fluoro-4-oxo-7-(4-prop-2-enoxycarbonylpiperazin-1-yl)quinoline-3-carboxylic acid Traditional Name: 7-(4-allyloxycarbonylpiperazino)-1-ethyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C20H22FN3O5 MolecularWeight: 403.404183

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22FN3O5/c1-3-9-29-20(28)24-7-5-23(6-8-24)17-11-16-13(10-15(17)21)18(25)14(19(26)27)12-22(16)4-2/h3,10-12H,1,4-9H2,2H3,(H,26,27)