5-azanyl-1-cyclopropyl-6,8-bis(fluoranyl)-7-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxidanylidene-2-pyrrolidin-3-yloxy-quinoline-3-carboxylic acid

Systemtic Name: 5-azanyl-1-cyclopropyl-6,8-bis(fluoranyl)-7-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxidanylidene-2-pyrrolidin-3-yloxy-quinoline-3-carboxylic acid Openeye Name: 5-amino-7-tert-butoxycarbonyl-1-cyclopropyl-6,8-difluoro-4-oxo-2-pyrrolidin-3-yloxy-quinoline-3-carboxylic acid CAS Name: 5-amino-1-cyclopropyl-6,8-difluoro-7-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-oxo-2-(3-pyrrolidinyloxy)-3-quinolinecarboxylic acid IUPAC Name: 5-amino-1-cyclopropyl-6,8-difluoro-7-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxo-2-pyrrolidin-3-yloxyquinoline-3-carboxylic acid Traditional Name: 5-amino-7-tert-butoxycarbonyl-1-cyclopropyl-6,8-difluoro-4-keto-2-pyrrolidin-3-yloxy-quinoline-3-carboxylic acid Formula: C22H25F2N3O6 MolecularWeight: 465.447206

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C(C2=C(C(=C1F)N)C(=O)C(=C(N2C3CC3)OC4CCNC4)C(=O)O)F

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(C2=C(C(=C1F)N)C(=O)C(=C(N2C3CC3)OC4CCNC4)C(=O)O)F

InChI

InChI=1S/C22H25F2N3O6/c1-22(2,3)33-21(31)11-14(23)16(25)12-17(15(11)24)27(9-4-5-9)19(13(18(12)28)20(29)30)32-10-6-7-26-8-10/h9-10,26H,4-8,25H2,1-3H3,(H,29,30)