5-azanyl-7-[3-[2-(tert-butylperoxycarbonylamino)propan-2-yl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 5-azanyl-7-[3-[2-(tert-butylperoxycarbonylamino)propan-2-yl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 5-amino-7-[3-[1-(tert-butylperoxycarbonylamino)-1-methyl-ethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 5-amino-7-[3-[2-[[tert-butyldioxy(oxo)methyl]amino]propan-2-yl]-1-pyrrolidinyl]-1-cyclopropyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 5-amino-7-[3-[2-(tert-butylperoxycarbonylamino)propan-2-yl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 5-amino-7-[3-[1-(tert-butylperoxycarbonylamino)-1-methyl-ethyl]pyrrolidino]-1-cyclopropyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C25H33FN4O6 MolecularWeight: 504.551123

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OOC(=O)NC(C)(C)C1CCN(C1)C2=C(C(=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)N)F

Isomeric SMILES

CC(C)(C)OOC(=O)NC(C)(C)C1CCN(C1)C2=C(C(=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)N)F

InChI

InChI=1S/C25H33FN4O6/c1-24(2,3)36-35-23(34)28-25(4,5)13-8-9-29(11-13)17-10-16-18(20(27)19(17)26)21(31)15(22(32)33)12-30(16)14-6-7-14/h10,12-14H,6-9,11,27H2,1-5H3,(H,28,34)(H,32,33)