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

Systemtic Name: 1-cyclopropyl-3-[[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-6-fluoranyl-5-methyl-4-oxidanylidene-2-pyrrolidin-1-yl-2H-quinoline-3-carboxylic acid Openeye Name: 3-[[tert-butoxycarbonyl(ethyl)amino]methyl]-1-cyclopropyl-6-fluoro-5-methyl-4-oxo-2-pyrrolidin-1-yl-2H-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-3-[[ethyl-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]-6-fluoro-5-methyl-4-oxo-2-(1-pyrrolidinyl)-2H-quinoline-3-carboxylic acid IUPAC Name: 1-cyclopropyl-3-[[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-6-fluoro-5-methyl-4-oxo-2-pyrrolidin-1-yl-2H-quinoline-3-carboxylic acid Traditional Name: 3-[[tert-butoxycarbonyl(ethyl)amino]methyl]-1-cyclopropyl-6-fluoro-4-keto-5-methyl-2-pyrrolidino-2H-quinoline-3-carboxylic acid Formula: C26H36FN3O5 MolecularWeight: 489.579543

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1(C(N(C2=C(C1=O)C(=C(C=C2)F)C)C3CC3)N4CCCC4)C(=O)O)C(=O)OC(C)(C)C

Isomeric SMILES

CCN(CC1(C(N(C2=C(C1=O)C(=C(C=C2)F)C)C3CC3)N4CCCC4)C(=O)O)C(=O)OC(C)(C)C

InChI

InChI=1S/C26H36FN3O5/c1-6-28(24(34)35-25(3,4)5)15-26(23(32)33)21(31)20-16(2)18(27)11-12-19(20)30(17-9-10-17)22(26)29-13-7-8-14-29/h11-12,17,22H,6-10,13-15H2,1-5H3,(H,32,33)