[4-(5-heptylpyrimidin-2-yl)phenyl] butaneperoxoate

Systemtic Name: [4-(5-heptylpyrimidin-2-yl)phenyl] butaneperoxoate Openeye Name: [4-(5-heptylpyrimidin-2-yl)phenyl] butaneperoxoate CAS Name: butaneperoxoic acid [4-(5-heptyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-heptylpyrimidin-2-yl)phenyl] butaneperoxoate Traditional Name: peroxybutyric acid [4-(5-heptylpyrimidin-2-yl)phenyl] ester Formula: C21H28N2O3 MolecularWeight: 356.45862

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OOC(=O)CCC

Isomeric SMILES

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OOC(=O)CCC

InChI

InChI=1S/C21H28N2O3/c1-3-5-6-7-8-10-17-15-22-21(23-16-17)18-11-13-19(14-12-18)25-26-20(24)9-4-2/h11-16H,3-10H2,1-2H3