[3-(pyridin-4-ylmethoxy)phenyl] 2-cyano-2-(2-methylphenyl)ethaneperoxoate

Systemtic Name: [3-(pyridin-4-ylmethoxy)phenyl] 2-cyano-2-(2-methylphenyl)ethaneperoxoate Openeye Name: [3-(4-pyridylmethoxy)phenyl] 2-cyano-2-(o-tolyl)peroxyacetate CAS Name: 2-cyano-2-(2-methylphenyl)ethaneperoxoic acid [3-(pyridin-4-ylmethoxy)phenyl] ester IUPAC Name: [3-(pyridin-4-ylmethoxy)phenyl] 2-cyano-2-(2-methylphenyl)ethaneperoxoate Traditional Name: 2-cyano-2-(o-tolyl)peracetic acid [3-(4-pyridylmethoxy)phenyl] ester Formula: C22H18N2O4 MolecularWeight: 374.38932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C#N)C(=O)OOC2=CC=CC(=C2)OCC3=CC=NC=C3

Isomeric SMILES

CC1=CC=CC=C1C(C#N)C(=O)OOC2=CC=CC(=C2)OCC3=CC=NC=C3

InChI

InChI=1S/C22H18N2O4/c1-16-5-2-3-8-20(16)21(14-23)22(25)28-27-19-7-4-6-18(13-19)26-15-17-9-11-24-12-10-17/h2-13,21H,15H2,1H3