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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC1NC(=O)OC(C)(C)C)C2=C(C=C3C(=C2Cl)N(C=C(C3=O)C(=O)O)C4CC4)F

Isomeric SMILES

CC1CN(CC1NC(=O)OC(C)(C)C)C2=C(C=C3C(=C2Cl)N(C=C(C3=O)C(=O)O)C4CC4)F

InChI

InChI=1S/C23H27ClFN3O5/c1-11-8-27(10-16(11)26-22(32)33-23(2,3)4)19-15(25)7-13-18(17(19)24)28(12-5-6-12)9-14(20(13)29)21(30)31/h7,9,11-12,16H,5-6,8,10H2,1-4H3,(H,26,32)(H,30,31)