4-methyl-2-(2-methylpropoxycarbonyl)-2-(2-oxidanylidene-2-pyridin-4-yl-ethyl)pentaneperoxoic acid

Systemtic Name: 4-methyl-2-(2-methylpropoxycarbonyl)-2-(2-oxidanylidene-2-pyridin-4-yl-ethyl)pentaneperoxoic acid Openeye Name: 2-isobutoxycarbonyl-4-methyl-2-[2-oxo-2-(4-pyridyl)ethyl]pentaneperoxoic acid CAS Name: 4-methyl-2-[2-methylpropoxy(oxo)methyl]-2-(2-oxo-2-pyridin-4-ylethyl)pentaneperoxoic acid IUPAC Name: 4-methyl-2-(2-methylpropoxycarbonyl)-2-(2-oxo-2-pyridin-4-ylethyl)pentaneperoxoic acid Traditional Name: 2-isobutoxycarbonyl-2-[2-keto-2-(4-pyridyl)ethyl]-4-methyl-peroxyvaleric acid Formula: C18H25NO6 MolecularWeight: 351.3942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CC(=O)C1=CC=NC=C1)(C(=O)OCC(C)C)C(=O)OO

Isomeric SMILES

CC(C)CC(CC(=O)C1=CC=NC=C1)(C(=O)OCC(C)C)C(=O)OO

InChI

InChI=1S/C18H25NO6/c1-12(2)9-18(17(22)25-23,16(21)24-11-13(3)4)10-15(20)14-5-7-19-8-6-14/h5-8,12-13,23H,9-11H2,1-4H3