[4-[2-[(4-cyano-2-methoxy-phenyl)carbonylamino]propanoyl]phenyl] butaneperoxoate

Systemtic Name: [4-[2-[(4-cyano-2-methoxy-phenyl)carbonylamino]propanoyl]phenyl] butaneperoxoate Openeye Name: [4-[2-[(4-cyano-2-methoxy-benzoyl)amino]propanoyl]phenyl] butaneperoxoate CAS Name: butaneperoxoic acid [4-[2-[[(4-cyano-2-methoxyphenyl)-oxomethyl]amino]-1-oxopropyl]phenyl] ester IUPAC Name: [4-[2-[(4-cyano-2-methoxybenzoyl)amino]propanoyl]phenyl] butaneperoxoate Traditional Name: peroxybutyric acid [4-[2-[(4-cyano-2-methoxy-benzoyl)amino]propanoyl]phenyl] ester Formula: C22H22N2O6 MolecularWeight: 410.41988

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OOC1=CC=C(C=C1)C(=O)C(C)NC(=O)C2=C(C=C(C=C2)C#N)OC

Isomeric SMILES

CCCC(=O)OOC1=CC=C(C=C1)C(=O)C(C)NC(=O)C2=C(C=C(C=C2)C#N)OC

InChI

InChI=1S/C22H22N2O6/c1-4-5-20(25)30-29-17-9-7-16(8-10-17)21(26)14(2)24-22(27)18-11-6-15(13-23)12-19(18)28-3/h6-12,14H,4-5H2,1-3H3,(H,24,27)