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

Systemtic Name: [1-[4-(4-cyanophenyl)-2-methyl-4-oxidanylidene-butanoyl]piperidin-4-yl] 2-pyridin-2-ylbutaneperoxoate Openeye Name: [1-[4-(4-cyanophenyl)-2-methyl-4-oxo-butanoyl]-4-piperidyl] 2-(2-pyridyl)butaneperoxoate CAS Name: 2-(2-pyridinyl)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] 2-pyridin-2-ylbutaneperoxoate Traditional Name: 2-(2-pyridyl)peroxybutyric acid [1-[4-(4-cyanophenyl)-4-keto-2-methyl-butanoyl]-4-piperidyl] ester Formula: C26H29N3O5 MolecularWeight: 463.52556

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=N1)C(=O)OOC2CCN(CC2)C(=O)C(C)CC(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCC(C1=CC=CC=N1)C(=O)OOC2CCN(CC2)C(=O)C(C)CC(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C26H29N3O5/c1-3-22(23-6-4-5-13-28-23)26(32)34-33-21-11-14-29(15-12-21)25(31)18(2)16-24(30)20-9-7-19(17-27)8-10-20/h4-10,13,18,21-22H,3,11-12,14-16H2,1-2H3