[1-imidazol-1-yl-3-[(4-methoxyphenyl)methoxy]propan-2-yl] 2-ethyl-5-oxidanylidene-pentaneperoxoate

Systemtic Name: [1-imidazol-1-yl-3-[(4-methoxyphenyl)methoxy]propan-2-yl] 2-ethyl-5-oxidanylidene-pentaneperoxoate Openeye Name: [1-(imidazol-1-ylmethyl)-2-[(4-methoxyphenyl)methoxy]ethyl] 2-ethyl-5-oxo-pentaneperoxoate CAS Name: 2-ethyl-5-oxopentaneperoxoic acid [1-(1-imidazolyl)-3-[(4-methoxyphenyl)methoxy]propan-2-yl] ester IUPAC Name: [1-imidazol-1-yl-3-[(4-methoxyphenyl)methoxy]propan-2-yl] 2-ethyl-5-oxopentaneperoxoate Traditional Name: 2-ethyl-5-keto-peroxyvaleric acid [1-(imidazol-1-ylmethyl)-2-p-anisyloxy-ethyl] ester Formula: C21H28N2O6 MolecularWeight: 404.45682

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCC=O)C(=O)OOC(CN1C=CN=C1)COCC2=CC=C(C=C2)OC

Isomeric SMILES

CCC(CCC=O)C(=O)OOC(CN1C=CN=C1)COCC2=CC=C(C=C2)OC

InChI

InChI=1S/C21H28N2O6/c1-3-18(5-4-12-24)21(25)29-28-20(13-23-11-10-22-16-23)15-27-14-17-6-8-19(26-2)9-7-17/h6-12,16,18,20H,3-5,13-15H2,1-2H3