phenyl 2-methyl-2-(1-pyridin-4-ylcarbonyl-3,6-dihydro-2H-pyridin-4-yl)propaneperoxoate

Systemtic Name: phenyl 2-methyl-2-(1-pyridin-4-ylcarbonyl-3,6-dihydro-2H-pyridin-4-yl)propaneperoxoate Openeye Name: phenyl 2-methyl-2-[1-(pyridine-4-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]propaneperoxoate CAS Name: 2-methyl-2-[1-[oxo(pyridin-4-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]propaneperoxoic acid phenyl ester IUPAC Name: phenyl 2-methyl-2-[1-(pyridine-4-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]propaneperoxoate Traditional Name: 2-(1-isonicotinoyl-3,6-dihydro-2H-pyridin-4-yl)-2-methyl-peroxypropionic acid phenyl ester Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CCN(CC1)C(=O)C2=CC=NC=C2)C(=O)OOC3=CC=CC=C3

Isomeric SMILES

CC(C)(C1=CCN(CC1)C(=O)C2=CC=NC=C2)C(=O)OOC3=CC=CC=C3

InChI

InChI=1S/C21H22N2O4/c1-21(2,20(25)27-26-18-6-4-3-5-7-18)17-10-14-23(15-11-17)19(24)16-8-12-22-13-9-16/h3-10,12-13H,11,14-15H2,1-2H3