2-[1-tert-butyl-1-[1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]-2-oxidanylidene-3-(4-phenylmethoxyphenyl)pyrrolidin-1-ium-3-yl]ethanoate

Systemtic Name: 2-[1-tert-butyl-1-[1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]-2-oxidanylidene-3-(4-phenylmethoxyphenyl)pyrrolidin-1-ium-3-yl]ethanoate Openeye Name: 2-[3-(4-benzyloxyphenyl)-1-tert-butyl-1-[2-(hydroxyamino)-1-methyl-2-oxo-ethyl]-2-oxo-pyrrolidin-1-ium-3-yl]acetate CAS Name: 2-[1-tert-butyl-1-[1-(hydroxyamino)-1-oxopropan-2-yl]-2-oxo-3-(4-phenylmethoxyphenyl)-3-pyrrolidin-1-iumyl]acetate IUPAC Name: 2-[1-tert-butyl-1-[1-(hydroxyamino)-1-oxopropan-2-yl]-2-oxo-3-(4-phenylmethoxyphenyl)pyrrolidin-1-ium-3-yl]acetate Traditional Name: 2-[3-(4-benzoxyphenyl)-1-tert-butyl-1-[2-(hydroxyamino)-2-keto-1-methyl-ethyl]-2-keto-pyrrolidin-1-ium-3-yl]acetate Formula: C26H32N2O6 MolecularWeight: 468.54208

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NO)[N+]1(CCC(C1=O)(CC(=O)[O-])C2=CC=C(C=C2)OCC3=CC=CC=C3)C(C)(C)C

Isomeric SMILES

CC(C(=O)NO)[N+]1(CCC(C1=O)(CC(=O)[O-])C2=CC=C(C=C2)OCC3=CC=CC=C3)C(C)(C)C

InChI

InChI=1S/C26H32N2O6/c1-18(23(31)27-33)28(25(2,3)4)15-14-26(24(28)32,16-22(29)30)20-10-12-21(13-11-20)34-17-19-8-6-5-7-9-19/h5-13,18H,14-17H2,1-4H3,(H2-,27,29,30,31,33)