[3-(pyrimidin-5-ylmethoxy)phenyl] 2-[2-(2-methylphenyl)ethyl]-3-oxidanylidene-butaneperoxoate

Systemtic Name: [3-(pyrimidin-5-ylmethoxy)phenyl] 2-[2-(2-methylphenyl)ethyl]-3-oxidanylidene-butaneperoxoate Openeye Name: [3-(pyrimidin-5-ylmethoxy)phenyl] 2-[2-(o-tolyl)ethyl]-3-oxo-butaneperoxoate CAS Name: 2-[2-(2-methylphenyl)ethyl]-3-oxobutaneperoxoic acid [3-(5-pyrimidinylmethoxy)phenyl] ester IUPAC Name: [3-(pyrimidin-5-ylmethoxy)phenyl] 2-[2-(2-methylphenyl)ethyl]-3-oxobutaneperoxoate Traditional Name: 3-keto-2-[2-(o-tolyl)ethyl]peroxybutyric acid [3-(5-pyrimidylmethoxy)phenyl] ester Formula: C24H24N2O5 MolecularWeight: 420.45776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CCC(C(=O)C)C(=O)OOC2=CC=CC(=C2)OCC3=CN=CN=C3

Isomeric SMILES

CC1=CC=CC=C1CCC(C(=O)C)C(=O)OOC2=CC=CC(=C2)OCC3=CN=CN=C3

InChI

InChI=1S/C24H24N2O5/c1-17-6-3-4-7-20(17)10-11-23(18(2)27)24(28)31-30-22-9-5-8-21(12-22)29-15-19-13-25-16-26-14-19/h3-9,12-14,16,23H,10-11,15H2,1-2H3