[4-[2-[2-cyanoethyl(2-piperidin-4-yloxyethanoyl)amino]propanoyl]phenyl] butaneperoxoate

Systemtic Name: [4-[2-[2-cyanoethyl(2-piperidin-4-yloxyethanoyl)amino]propanoyl]phenyl] butaneperoxoate Openeye Name: [4-[2-[2-cyanoethyl-[2-(4-piperidyloxy)acetyl]amino]propanoyl]phenyl] butaneperoxoate CAS Name: butaneperoxoic acid [4-[2-[2-cyanoethyl-[1-oxo-2-(4-piperidinyloxy)ethyl]amino]-1-oxopropyl]phenyl] ester IUPAC Name: [4-[2-[2-cyanoethyl-(2-piperidin-4-yloxyacetyl)amino]propanoyl]phenyl] butaneperoxoate Traditional Name: peroxybutyric acid [4-[2-[2-cyanoethyl-[2-(4-piperidyloxy)acetyl]amino]propanoyl]phenyl] ester Formula: C23H31N3O6 MolecularWeight: 445.50874

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OOC1=CC=C(C=C1)C(=O)C(C)N(CCC#N)C(=O)COC2CCNCC2

Isomeric SMILES

CCCC(=O)OOC1=CC=C(C=C1)C(=O)C(C)N(CCC#N)C(=O)COC2CCNCC2

InChI

InChI=1S/C23H31N3O6/c1-3-5-22(28)32-31-20-8-6-18(7-9-20)23(29)17(2)26(15-4-12-24)21(27)16-30-19-10-13-25-14-11-19/h6-9,17,19,25H,3-5,10-11,13-16H2,1-2H3