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

Systemtic Name: 1-cyclopropyl-8-ethoxy-6-fluoranyl-2-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]pyrrolidin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 2-[3-[1-(tert-butoxycarbonylamino)-1-methyl-ethyl]pyrrolidin-1-yl]-1-cyclopropyl-8-ethoxy-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-8-ethoxy-6-fluoro-2-[3-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propan-2-yl]-1-pyrrolidinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-8-ethoxy-6-fluoro-2-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]pyrrolidin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 2-[3-[1-(tert-butoxycarbonylamino)-1-methyl-ethyl]pyrrolidino]-1-cyclopropyl-8-ethoxy-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C27H36FN3O6 MolecularWeight: 517.589643

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2C(=CC(=C1)F)C(=O)C(=C(N2C3CC3)N4CCC(C4)C(C)(C)NC(=O)OC(C)(C)C)C(=O)O

Isomeric SMILES

CCOC1=C2C(=CC(=C1)F)C(=O)C(=C(N2C3CC3)N4CCC(C4)C(C)(C)NC(=O)OC(C)(C)C)C(=O)O

InChI

InChI=1S/C27H36FN3O6/c1-7-36-19-13-16(28)12-18-21(19)31(17-8-9-17)23(20(22(18)32)24(33)34)30-11-10-15(14-30)27(5,6)29-25(35)37-26(2,3)4/h12-13,15,17H,7-11,14H2,1-6H3,(H,29,35)(H,33,34)