[1-[4-(4-cyanophenyl)-2-methyl-4-oxidanylidene-butanoyl]piperidin-4-yl] 3-pyridin-4-ylpropaneperoxoate

Systemtic Name: [1-[4-(4-cyanophenyl)-2-methyl-4-oxidanylidene-butanoyl]piperidin-4-yl] 3-pyridin-4-ylpropaneperoxoate Openeye Name: [1-[4-(4-cyanophenyl)-2-methyl-4-oxo-butanoyl]-4-piperidyl] 3-(4-pyridyl)propaneperoxoate CAS Name: 3-pyridin-4-ylpropaneperoxoic acid [1-[4-(4-cyanophenyl)-2-methyl-1,4-dioxobutyl]-4-piperidinyl] ester IUPAC Name: [1-[4-(4-cyanophenyl)-2-methyl-4-oxobutanoyl]piperidin-4-yl] 3-pyridin-4-ylpropaneperoxoate Traditional Name: 3-(4-pyridyl)peroxypropionic acid [1-[4-(4-cyanophenyl)-4-keto-2-methyl-butanoyl]-4-piperidyl] ester Formula: C25H27N3O5 MolecularWeight: 449.49898

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)C1=CC=C(C=C1)C#N)C(=O)N2CCC(CC2)OOC(=O)CCC3=CC=NC=C3

Isomeric SMILES

CC(CC(=O)C1=CC=C(C=C1)C#N)C(=O)N2CCC(CC2)OOC(=O)CCC3=CC=NC=C3

InChI

InChI=1S/C25H27N3O5/c1-18(16-23(29)21-5-2-20(17-26)3-6-21)25(31)28-14-10-22(11-15-28)32-33-24(30)7-4-19-8-12-27-13-9-19/h2-3,5-6,8-9,12-13,18,22H,4,7,10-11,14-16H2,1H3