6-fluoranyl-7-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-4-oxidanylidene-1H-quinoline-3-carboxylic acid

Systemtic Name: 6-fluoranyl-7-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-4-oxidanylidene-1H-quinoline-3-carboxylic acid Openeye Name: 7-(4-tert-butoxycarbonylpiperazin-1-yl)-6-fluoro-4-oxo-1H-quinoline-3-carboxylic acid CAS Name: 6-fluoro-7-[4-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-piperazinyl]-4-oxo-1H-quinoline-3-carboxylic acid IUPAC Name: 6-fluoro-7-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-4-oxo-1H-quinoline-3-carboxylic acid Traditional Name: 7-(4-tert-butoxycarbonylpiperazino)-6-fluoro-4-keto-1H-quinoline-3-carboxylic acid Formula: C19H22FN3O5 MolecularWeight: 391.393483

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=C3C(=C2)NC=C(C3=O)C(=O)O)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=C3C(=C2)NC=C(C3=O)C(=O)O)F

InChI

InChI=1S/C19H22FN3O5/c1-19(2,3)28-18(27)23-6-4-22(5-7-23)15-9-14-11(8-13(15)20)16(24)12(10-21-14)17(25)26/h8-10H,4-7H2,1-3H3,(H,21,24)(H,25,26)