7-[4-[(5-tert-butyl-2-oxidanylidene-1,3-dioxol-4-yl)methyl]piperazin-1-yl]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[4-[(5-tert-butyl-2-oxidanylidene-1,3-dioxol-4-yl)methyl]piperazin-1-yl]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[4-[(5-tert-butyl-2-oxo-1,3-dioxol-4-yl)methyl]piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[4-[(5-tert-butyl-2-oxo-1,3-dioxol-4-yl)methyl]-1-piperazinyl]-1-cyclopropyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[4-[(5-tert-butyl-2-oxo-1,3-dioxol-4-yl)methyl]piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[4-[(5-tert-butyl-2-keto-1,3-dioxol-4-yl)methyl]piperazino]-1-cyclopropyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C25H28FN3O6 MolecularWeight: 485.504723

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(OC(=O)O1)CN2CCN(CC2)C3=C(C=C4C(=C3)N(C=C(C4=O)C(=O)O)C5CC5)F

Isomeric SMILES

CC(C)(C)C1=C(OC(=O)O1)CN2CCN(CC2)C3=C(C=C4C(=C3)N(C=C(C4=O)C(=O)O)C5CC5)F

InChI

InChI=1S/C25H28FN3O6/c1-25(2,3)22-20(34-24(33)35-22)13-27-6-8-28(9-7-27)19-11-18-15(10-17(19)26)21(30)16(23(31)32)12-29(18)14-4-5-14/h10-12,14H,4-9,13H2,1-3H3,(H,31,32)