[2-cyano-3-fluoranyl-5-(pyridin-4-ylmethoxy)phenyl] 2-(2-methylphenyl)ethaneperoxoate

Systemtic Name: [2-cyano-3-fluoranyl-5-(pyridin-4-ylmethoxy)phenyl] 2-(2-methylphenyl)ethaneperoxoate Openeye Name: [2-cyano-3-fluoro-5-(4-pyridylmethoxy)phenyl] 2-(o-tolyl)peroxyacetate CAS Name: 2-(2-methylphenyl)ethaneperoxoic acid [2-cyano-3-fluoro-5-(pyridin-4-ylmethoxy)phenyl] ester IUPAC Name: [2-cyano-3-fluoro-5-(pyridin-4-ylmethoxy)phenyl] 2-(2-methylphenyl)ethaneperoxoate Traditional Name: 2-(o-tolyl)peracetic acid [2-cyano-3-fluoro-5-(4-pyridylmethoxy)phenyl] ester Formula: C22H17FN2O4 MolecularWeight: 392.379783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC(=O)OOC2=C(C(=CC(=C2)OCC3=CC=NC=C3)F)C#N

Isomeric SMILES

CC1=CC=CC=C1CC(=O)OOC2=C(C(=CC(=C2)OCC3=CC=NC=C3)F)C#N

InChI

InChI=1S/C22H17FN2O4/c1-15-4-2-3-5-17(15)10-22(26)29-28-21-12-18(11-20(23)19(21)13-24)27-14-16-6-8-25-9-7-16/h2-9,11-12H,10,14H2,1H3