8-chloranyl-1-cyclopropyl-6-fluoranyl-7-[(3R)-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]pyrrolidin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 8-chloranyl-1-cyclopropyl-6-fluoranyl-7-[(3R)-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]pyrrolidin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[(3R)-3-[1-(tert-butoxycarbonylamino)-1-methyl-ethyl]pyrrolidin-1-yl]-8-chloro-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 8-chloro-1-cyclopropyl-6-fluoro-7-[(3R)-3-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propan-2-yl]-1-pyrrolidinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 8-chloro-1-cyclopropyl-6-fluoro-7-[(3R)-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]pyrrolidin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[(3R)-3-[1-(tert-butoxycarbonylamino)-1-methyl-ethyl]pyrrolidino]-8-chloro-1-cyclopropyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C25H31ClFN3O5 MolecularWeight: 507.982143

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(C)(C)C1CCN(C1)C2=C(C=C3C(=C2Cl)N(C=C(C3=O)C(=O)O)C4CC4)F

Isomeric SMILES

CC(C)(C)OC(=O)NC(C)(C)[C@@H]1CCN(C1)C2=C(C=C3C(=C2Cl)N(C=C(C3=O)C(=O)O)C4CC4)F

InChI

InChI=1S/C25H31ClFN3O5/c1-24(2,3)35-23(34)28-25(4,5)13-8-9-29(11-13)20-17(27)10-15-19(18(20)26)30(14-6-7-14)12-16(21(15)31)22(32)33/h10,12-14H,6-9,11H2,1-5H3,(H,28,34)(H,32,33)/t13-/m1/s1