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

Systemtic Name: [4-[2-[2-cyanoethyl(2-piperidin-4-yloxyethanoyl)amino]propanoyl]phenyl] ethaneperoxoate Openeye Name: [4-[2-[2-cyanoethyl-[2-(4-piperidyloxy)acetyl]amino]propanoyl]phenyl] peroxyacetate CAS Name: ethaneperoxoic 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] ethaneperoxoate Traditional Name: peracetic acid [4-[2-[2-cyanoethyl-[2-(4-piperidyloxy)acetyl]amino]propanoyl]phenyl] ester Formula: C21H27N3O6 MolecularWeight: 417.45558

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)OOC(=O)C)N(CCC#N)C(=O)COC2CCNCC2

Isomeric SMILES

CC(C(=O)C1=CC=C(C=C1)OOC(=O)C)N(CCC#N)C(=O)COC2CCNCC2

InChI

InChI=1S/C21H27N3O6/c1-15(21(27)17-4-6-19(7-5-17)30-29-16(2)25)24(13-3-10-22)20(26)14-28-18-8-11-23-12-9-18/h4-7,15,18,23H,3,8-9,11-14H2,1-2H3