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

Systemtic Name: 1-cyclopropyl-8-ethoxy-6-fluoranyl-3-[1-[(2-methylpropan-2-yl)oxy]-1-oxidanylidene-propan-2-yl]-4-oxidanylidene-2-pyrrolidin-1-yl-2H-quinoline-3-carboxylic acid; methanamine Openeye Name: 3-(2-tert-butoxy-1-methyl-2-oxo-ethyl)-1-cyclopropyl-8-ethoxy-6-fluoro-4-oxo-2-pyrrolidin-1-yl-2H-quinoline-3-carboxylic acid; methanamine CAS Name: 1-cyclopropyl-8-ethoxy-6-fluoro-3-[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]-4-oxo-2-(1-pyrrolidinyl)-2H-quinoline-3-carboxylic acid; methanamine IUPAC Name: 1-cyclopropyl-8-ethoxy-6-fluoro-3-[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]-4-oxo-2-pyrrolidin-1-yl-2H-quinoline-3-carboxylic acid; methanamine Traditional Name: 3-(2-tert-butoxy-2-keto-1-methyl-ethyl)-1-cyclopropyl-8-ethoxy-6-fluoro-4-keto-2-pyrrolidino-2H-quinoline-3-carboxylic acid; methylamine Formula: C27H40FN3O6 MolecularWeight: 521.621403

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2C(=CC(=C1)F)C(=O)C(C(N2C3CC3)N4CCCC4)(C(C)C(=O)OC(C)(C)C)C(=O)O.CN

Isomeric SMILES

CCOC1=C2C(=CC(=C1)F)C(=O)C(C(N2C3CC3)N4CCCC4)(C(C)C(=O)OC(C)(C)C)C(=O)O.CN

InChI

InChI=1S/C26H35FN2O6.CH5N/c1-6-34-19-14-16(27)13-18-20(19)29(17-9-10-17)23(28-11-7-8-12-28)26(21(18)30,24(32)33)15(2)22(31)35-25(3,4)5;1-2/h13-15,17,23H,6-12H2,1-5H3,(H,32,33);2H2,1H3