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

Systemtic Name: 1-cyclopropyl-6-fluoranyl-7-[3-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-(4-tert-butoxycarbonyl-3-methyl-piperazin-1-yl)-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6-fluoro-7-[3-methyl-4-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6-fluoro-7-[3-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-(4-tert-butoxycarbonyl-3-methyl-piperazino)-1-cyclopropyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C23H28FN3O5 MolecularWeight: 445.483923

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)OC(C)(C)C)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F

Isomeric SMILES

CC1CN(CCN1C(=O)OC(C)(C)C)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F

InChI

InChI=1S/C23H28FN3O5/c1-13-11-25(7-8-26(13)22(31)32-23(2,3)4)19-10-18-15(9-17(19)24)20(28)16(21(29)30)12-27(18)14-5-6-14/h9-10,12-14H,5-8,11H2,1-4H3,(H,29,30)