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

Systemtic Name: [1-[4-(4-cyanophenyl)-2-methyl-4-oxidanylidene-butanoyl]piperidin-4-yl] 2-pyridin-3-ylbutaneperoxoate Openeye Name: [1-[4-(4-cyanophenyl)-2-methyl-4-oxo-butanoyl]-4-piperidyl] 2-(3-pyridyl)butaneperoxoate CAS Name: 2-(3-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-3-ylbutaneperoxoate Traditional Name: 2-(3-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=CN=CC=C1)C(=O)OOC2CCN(CC2)C(=O)C(C)CC(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

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

InChI

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