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

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

Isomeric SMILES

CCC(C1=CC=NC=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(20-8-12-28-13-9-20)26(32)34-33-22-10-14-29(15-11-22)25(31)18(2)16-24(30)21-6-4-19(17-27)5-7-21/h4-9,12-13,18,22-23H,3,10-11,14-16H2,1-2H3