[1-[4-(4-cyanophenyl)-2-methyl-4-oxidanylidene-butanoyl]piperidin-4-yl] propaneperoxoate

Systemtic Name: [1-[4-(4-cyanophenyl)-2-methyl-4-oxidanylidene-butanoyl]piperidin-4-yl] propaneperoxoate Openeye Name: [1-[4-(4-cyanophenyl)-2-methyl-4-oxo-butanoyl]-4-piperidyl] propaneperoxoate CAS Name: 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] propaneperoxoate Traditional Name: peroxypropionic acid [1-[4-(4-cyanophenyl)-4-keto-2-methyl-butanoyl]-4-piperidyl] ester Formula: C20H24N2O5 MolecularWeight: 372.41496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OOC1CCN(CC1)C(=O)C(C)CC(=O)C2=CC=C(C=C2)C#N

Isomeric SMILES

CCC(=O)OOC1CCN(CC1)C(=O)C(C)CC(=O)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C20H24N2O5/c1-3-19(24)27-26-17-8-10-22(11-9-17)20(25)14(2)12-18(23)16-6-4-15(13-21)5-7-16/h4-7,14,17H,3,8-12H2,1-2H3