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

Systemtic Name: [3-(pyridin-3-ylmethoxy)phenyl] 2-[2-(2-methylphenyl)ethyl]-3-oxidanylidene-butaneperoxoate Openeye Name: [3-(3-pyridylmethoxy)phenyl] 2-[2-(o-tolyl)ethyl]-3-oxo-butaneperoxoate CAS Name: 2-[2-(2-methylphenyl)ethyl]-3-oxobutaneperoxoic acid [3-(3-pyridinylmethoxy)phenyl] ester IUPAC Name: [3-(pyridin-3-ylmethoxy)phenyl] 2-[2-(2-methylphenyl)ethyl]-3-oxobutaneperoxoate Traditional Name: 3-keto-2-[2-(o-tolyl)ethyl]peroxybutyric acid [3-(3-pyridylmethoxy)phenyl] ester Formula: C25H25NO5 MolecularWeight: 419.4697

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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=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C25H25NO5/c1-18-7-3-4-9-21(18)12-13-24(19(2)27)25(28)31-30-23-11-5-10-22(15-23)29-17-20-8-6-14-26-16-20/h3-11,14-16,24H,12-13,17H2,1-2H3