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

Systemtic Name: [4-(5-heptylpyrimidin-2-yl)phenyl] pentaneperoxoate Openeye Name: [4-(5-heptylpyrimidin-2-yl)phenyl] pentaneperoxoate CAS Name: pentaneperoxoic acid [4-(5-heptyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-heptylpyrimidin-2-yl)phenyl] pentaneperoxoate Traditional Name: peroxyvaleric acid [4-(5-heptylpyrimidin-2-yl)phenyl] ester Formula: C22H30N2O3 MolecularWeight: 370.4852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O3/c1-3-5-7-8-9-10-18-16-23-22(24-17-18)19-12-14-20(15-13-19)26-27-21(25)11-6-4-2/h12-17H,3-11H2,1-2H3