1-cyclopropyl-6-fluoranyl-8-methoxy-7-[3-(methylamino)piperidin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid; ethanoic acid

Systemtic Name: 1-cyclopropyl-6-fluoranyl-8-methoxy-7-[3-(methylamino)piperidin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid; ethanoic acid Openeye Name: acetic acid; 1-cyclopropyl-6-fluoro-8-methoxy-7-[3-(methylamino)-1-piperidyl]-4-oxo-quinoline-3-carboxylic acid CAS Name: acetic acid; 1-cyclopropyl-6-fluoro-8-methoxy-7-[3-(methylamino)-1-piperidinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: acetic acid; 1-cyclopropyl-6-fluoro-8-methoxy-7-[3-(methylamino)piperidin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: acetic acid; 1-cyclopropyl-6-fluoro-4-keto-8-methoxy-7-[3-(methylamino)piperidino]quinoline-3-carboxylic acid Formula: C22H28FN3O6 MolecularWeight: 449.472623

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.CNC1CCCN(C1)C2=C(C=C3C(=C2OC)N(C=C(C3=O)C(=O)O)C4CC4)F

Isomeric SMILES

CC(=O)O.CNC1CCCN(C1)C2=C(C=C3C(=C2OC)N(C=C(C3=O)C(=O)O)C4CC4)F

InChI

InChI=1S/C20H24FN3O4.C2H4O2/c1-22-11-4-3-7-23(9-11)17-15(21)8-13-16(19(17)28-2)24(12-5-6-12)10-14(18(13)25)20(26)27;1-2(3)4/h8,10-12,22H,3-7,9H2,1-2H3,(H,26,27);1H3,(H,3,4)