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

Systemtic Name: [1-[4-(4-cyanophenyl)-2-methyl-4-oxidanylidene-butanoyl]piperidin-4-yl] ethaneperoxoate Openeye Name: [1-[4-(4-cyanophenyl)-2-methyl-4-oxo-butanoyl]-4-piperidyl] peroxyacetate CAS Name: ethaneperoxoic 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] ethaneperoxoate Traditional Name: peracetic acid [1-[4-(4-cyanophenyl)-4-keto-2-methyl-butanoyl]-4-piperidyl] ester Formula: C19H22N2O5 MolecularWeight: 358.38838

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)C1=CC=C(C=C1)C#N)C(=O)N2CCC(CC2)OOC(=O)C

Isomeric SMILES

CC(CC(=O)C1=CC=C(C=C1)C#N)C(=O)N2CCC(CC2)OOC(=O)C

InChI

InChI=1S/C19H22N2O5/c1-13(11-18(23)16-5-3-15(12-20)4-6-16)19(24)21-9-7-17(8-10-21)26-25-14(2)22/h3-6,13,17H,7-11H2,1-2H3