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

Systemtic Name: [1-[4-(4-cyanophenyl)-2-methyl-4-oxidanylidene-butanoyl]piperidin-4-yl] butaneperoxoate Openeye Name: [1-[4-(4-cyanophenyl)-2-methyl-4-oxo-butanoyl]-4-piperidyl] butaneperoxoate CAS Name: butaneperoxoic 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] butaneperoxoate Traditional Name: peroxybutyric acid [1-[4-(4-cyanophenyl)-4-keto-2-methyl-butanoyl]-4-piperidyl] ester Formula: C21H26N2O5 MolecularWeight: 386.44154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O5/c1-3-4-20(25)28-27-18-9-11-23(12-10-18)21(26)15(2)13-19(24)17-7-5-16(14-22)6-8-17/h5-8,15,18H,3-4,9-13H2,1-2H3