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

Systemtic Name: 5-chloranyl-1-cyclopropyl-6-fluoranyl-8-methyl-7-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[(3S)-3-(tert-butoxycarbonylamino)pyrrolidin-1-yl]-5-chloro-1-cyclopropyl-6-fluoro-8-methyl-4-oxo-quinoline-3-carboxylic acid CAS Name: 5-chloro-1-cyclopropyl-6-fluoro-8-methyl-7-[(3S)-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-pyrrolidinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 5-chloro-1-cyclopropyl-6-fluoro-8-methyl-7-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[(3S)-3-(tert-butoxycarbonylamino)pyrrolidino]-5-chloro-1-cyclopropyl-6-fluoro-4-keto-8-methyl-quinoline-3-carboxylic acid Formula: C23H27ClFN3O5 MolecularWeight: 479.928983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C2=C1N(C=C(C2=O)C(=O)O)C3CC3)Cl)F)N4CCC(C4)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C(=C(C2=C1N(C=C(C2=O)C(=O)O)C3CC3)Cl)F)N4CC[C@@H](C4)NC(=O)OC(C)(C)C

InChI

InChI=1S/C23H27ClFN3O5/c1-11-18-15(20(29)14(21(30)31)10-28(18)13-5-6-13)16(24)17(25)19(11)27-8-7-12(9-27)26-22(32)33-23(2,3)4/h10,12-13H,5-9H2,1-4H3,(H,26,32)(H,30,31)/t12-/m0/s1