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

Systemtic Name: [1-[3-[(4-cyanophenyl)amino]-3-oxidanylidene-propanoyl]piperidin-4-yl] 3,3-dimethylbutaneperoxoate Openeye Name: [1-[3-(4-cyanoanilino)-3-oxo-propanoyl]-4-piperidyl] 3,3-dimethylbutaneperoxoate CAS Name: 3,3-dimethylbutaneperoxoic acid [1-[3-(4-cyanoanilino)-1,3-dioxopropyl]-4-piperidinyl] ester IUPAC Name: [1-[3-(4-cyanoanilino)-3-oxopropanoyl]piperidin-4-yl] 3,3-dimethylbutaneperoxoate Traditional Name: 3,3-dimethylperoxybutyric acid [1-[3-(4-cyanoanilino)-3-keto-propanoyl]-4-piperidyl] ester Formula: C21H27N3O5 MolecularWeight: 401.45618

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)OOC1CCN(CC1)C(=O)CC(=O)NC2=CC=C(C=C2)C#N

Isomeric SMILES

CC(C)(C)CC(=O)OOC1CCN(CC1)C(=O)CC(=O)NC2=CC=C(C=C2)C#N

InChI

InChI=1S/C21H27N3O5/c1-21(2,3)13-20(27)29-28-17-8-10-24(11-9-17)19(26)12-18(25)23-16-6-4-15(14-22)5-7-16/h4-7,17H,8-13H2,1-3H3,(H,23,25)