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

Systemtic Name: [1-[4-(4-cyanophenyl)-2-methyl-4-oxidanylidene-butanoyl]piperidin-4-yl] 3-pyridin-3-ylpropaneperoxoate Openeye Name: [1-[4-(4-cyanophenyl)-2-methyl-4-oxo-butanoyl]-4-piperidyl] 3-(3-pyridyl)propaneperoxoate CAS Name: 3-(3-pyridinyl)propaneperoxoic 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-3-ylpropaneperoxoate Traditional Name: 3-(3-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=CN=CC=C3

Isomeric SMILES

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

InChI

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