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

Systemtic Name: 8-chloranyl-1-cyclopropyl-6-fluoranyl-7-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-3-oxidanyl-pyrrolidin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[3-[(tert-butoxycarbonylamino)methyl]-3-hydroxy-pyrrolidin-1-yl]-8-chloro-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 8-chloro-1-cyclopropyl-6-fluoro-7-[3-hydroxy-3-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]-1-pyrrolidinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 8-chloro-1-cyclopropyl-6-fluoro-7-[3-hydroxy-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrolidin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[3-[(tert-butoxycarbonylamino)methyl]-3-hydroxy-pyrrolidino]-8-chloro-1-cyclopropyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C23H27ClFN3O6 MolecularWeight: 495.928383

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1(CCN(C1)C2=C(C=C3C(=C2Cl)N(C=C(C3=O)C(=O)O)C4CC4)F)O

Isomeric SMILES

CC(C)(C)OC(=O)NCC1(CCN(C1)C2=C(C=C3C(=C2Cl)N(C=C(C3=O)C(=O)O)C4CC4)F)O

InChI

InChI=1S/C23H27ClFN3O6/c1-22(2,3)34-21(32)26-10-23(33)6-7-27(11-23)18-15(25)8-13-17(16(18)24)28(12-4-5-12)9-14(19(13)29)20(30)31/h8-9,12,33H,4-7,10-11H2,1-3H3,(H,26,32)(H,30,31)