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

Systemtic Name: 1-cyclopropyl-8-ethynyl-6-fluoranyl-7-[3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[3-(tert-butoxycarbonylamino)-3-methyl-pyrrolidin-1-yl]-1-cyclopropyl-8-ethynyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-8-ethynyl-6-fluoro-7-[3-methyl-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-pyrrolidinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-8-ethynyl-6-fluoro-7-[3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[3-(tert-butoxycarbonylamino)-3-methyl-pyrrolidino]-1-cyclopropyl-8-ethynyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C25H28FN3O5 MolecularWeight: 469.505323

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCN(C1)C2=C(C=C3C(=C2C#C)N(C=C(C3=O)C(=O)O)C4CC4)F)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1(CCN(C1)C2=C(C=C3C(=C2C#C)N(C=C(C3=O)C(=O)O)C4CC4)F)NC(=O)OC(C)(C)C

InChI

InChI=1S/C25H28FN3O5/c1-6-15-19-16(21(30)17(22(31)32)12-29(19)14-7-8-14)11-18(26)20(15)28-10-9-25(5,13-28)27-23(33)34-24(2,3)4/h1,11-12,14H,7-10,13H2,2-5H3,(H,27,33)(H,31,32)