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

Systemtic Name: [4-(5-propylpyrimidin-2-yl)phenyl] pentaneperoxoate Openeye Name: [4-(5-propylpyrimidin-2-yl)phenyl] pentaneperoxoate CAS Name: pentaneperoxoic acid [4-(5-propyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-propylpyrimidin-2-yl)phenyl] pentaneperoxoate Traditional Name: peroxyvaleric acid [4-(5-propylpyrimidin-2-yl)phenyl] ester Formula: C18H22N2O3 MolecularWeight: 314.37888

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OOC1=CC=C(C=C1)C2=NC=C(C=N2)CCC

Isomeric SMILES

CCCCC(=O)OOC1=CC=C(C=C1)C2=NC=C(C=N2)CCC

InChI

InChI=1S/C18H22N2O3/c1-3-5-7-17(21)23-22-16-10-8-15(9-11-16)18-19-12-14(6-4-2)13-20-18/h8-13H,3-7H2,1-2H3