[1-[4-(4-cyanophenyl)-4-oxidanylidene-butanoyl]piperidin-4-yl] 3,3-dimethylbutaneperoxoate

Systemtic Name: [1-[4-(4-cyanophenyl)-4-oxidanylidene-butanoyl]piperidin-4-yl] 3,3-dimethylbutaneperoxoate Openeye Name: [1-[4-(4-cyanophenyl)-4-oxo-butanoyl]-4-piperidyl] 3,3-dimethylbutaneperoxoate CAS Name: 3,3-dimethylbutaneperoxoic acid [1-[4-(4-cyanophenyl)-1,4-dioxobutyl]-4-piperidinyl] ester IUPAC Name: [1-[4-(4-cyanophenyl)-4-oxobutanoyl]piperidin-4-yl] 3,3-dimethylbutaneperoxoate Traditional Name: 3,3-dimethylperoxybutyric acid [1-[4-(4-cyanophenyl)-4-keto-butanoyl]-4-piperidyl] ester Formula: C22H28N2O5 MolecularWeight: 400.46812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O5/c1-22(2,3)14-21(27)29-28-18-10-12-24(13-11-18)20(26)9-8-19(25)17-6-4-16(15-23)5-7-17/h4-7,18H,8-14H2,1-3H3