5-azanyl-6-fluoranyl-7-[3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-1-(1,2-oxazol-3-yl)-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: 5-azanyl-6-fluoranyl-7-[3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-1-(1,2-oxazol-3-yl)-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: 5-amino-7-[3-(tert-butoxycarbonylamino)-4-methyl-pyrrolidin-1-yl]-6-fluoro-1-isoxazol-3-yl-4-oxo-quinoline-3-carboxylate CAS Name: 5-amino-6-fluoro-1-(3-isoxazolyl)-7-[3-methyl-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-pyrrolidinyl]-4-oxo-3-quinolinecarboxylate IUPAC Name: 5-amino-6-fluoro-7-[3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-1-(1,2-oxazol-3-yl)-4-oxoquinoline-3-carboxylate Traditional Name: 5-amino-7-[3-(tert-butoxycarbonylamino)-4-methyl-pyrrolidino]-6-fluoro-1-isoxazol-3-yl-4-keto-quinoline-3-carboxylate Formula: C23H25FN5O6- MolecularWeight: 486.472903

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC1NC(=O)OC(C)(C)C)C2=C(C(=C3C(=C2)N(C=C(C3=O)C(=O)[O-])C4=NOC=C4)N)F

Isomeric SMILES

CC1CN(CC1NC(=O)OC(C)(C)C)C2=C(C(=C3C(=C2)N(C=C(C3=O)C(=O)[O-])C4=NOC=C4)N)F

InChI

InChI=1S/C23H26FN5O6/c1-11-8-28(10-13(11)26-22(33)35-23(2,3)4)15-7-14-17(19(25)18(15)24)20(30)12(21(31)32)9-29(14)16-5-6-34-27-16/h5-7,9,11,13H,8,10,25H2,1-4H3,(H,26,33)(H,31,32)/p-1