[1-oxidanyl-2,5-bis(oxidanylidene)pyrrolidin-1-ium-1-yl] 3-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Systemtic Name: [1-oxidanyl-2,5-bis(oxidanylidene)pyrrolidin-1-ium-1-yl] 3-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: (1-hydroxy-2,5-dioxo-pyrrolidin-1-ium-1-yl) 2-(tert-butoxycarbonylamino)-3-(4-hydroxyphenyl)propanoate CAS Name: 3-(4-hydroxyphenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid (1-hydroxy-2,5-dioxo-1-pyrrolidin-1-iumyl) ester IUPAC Name: (1-hydroxy-2,5-dioxopyrrolidin-1-ium-1-yl) 3-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: 2-(tert-butoxycarbonylamino)-3-(4-hydroxyphenyl)propionic acid (1-hydroxy-2,5-diketo-pyrrolidin-1-ium-1-yl) ester Formula: C18H23N2O8+ MolecularWeight: 395.38382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)O)C(=O)O[N+]2(C(=O)CCC2=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)O)C(=O)O[N+]2(C(=O)CCC2=O)O

InChI

InChI=1S/C18H22N2O8/c1-18(2,3)27-17(25)19-13(10-11-4-6-12(21)7-5-11)16(24)28-20(26)14(22)8-9-15(20)23/h4-7,13,26H,8-10H2,1-3H3,(H-,19,21,25)/p+1