1-cyclopropyl-7-[3-[[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrrolidin-1-yl]-6-fluoranyl-5-methyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-7-[3-[[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrrolidin-1-yl]-6-fluoranyl-5-methyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[3-[[tert-butoxycarbonyl(ethyl)amino]methyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-5-methyl-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-7-[3-[[ethyl-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]-1-pyrrolidinyl]-6-fluoro-5-methyl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-7-[3-[[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrrolidin-1-yl]-6-fluoro-5-methyl-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[3-[[tert-butoxycarbonyl(ethyl)amino]methyl]pyrrolidino]-1-cyclopropyl-6-fluoro-4-keto-5-methyl-quinoline-3-carboxylic acid Formula: C26H34FN3O5 MolecularWeight: 487.563663

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1CCN(C1)C2=C(C(=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)C)F)C(=O)OC(C)(C)C

Isomeric SMILES

CCN(CC1CCN(C1)C2=C(C(=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)C)F)C(=O)OC(C)(C)C

InChI

InChI=1S/C26H34FN3O5/c1-6-28(25(34)35-26(3,4)5)12-16-9-10-29(13-16)20-11-19-21(15(2)22(20)27)23(31)18(24(32)33)14-30(19)17-7-8-17/h11,14,16-17H,6-10,12-13H2,1-5H3,(H,32,33)