pyridin-4-yl (E)-5-(2-methoxyphenyl)-2-(3-methoxypropyl)-5-oxidanylidene-pent-3-eneperoxoate hydrochloride

Systemtic Name: pyridin-4-yl (E)-5-(2-methoxyphenyl)-2-(3-methoxypropyl)-5-oxidanylidene-pent-3-eneperoxoate hydrochloride Openeye Name: 4-pyridyl (E)-5-(2-methoxyphenyl)-2-(3-methoxypropyl)-5-oxo-pent-3-eneperoxoate hydrochloride CAS Name: (E)-5-(2-methoxyphenyl)-2-(3-methoxypropyl)-5-oxo-3-penteneperoxoic acid pyridin-4-yl ester hydrochloride IUPAC Name: pyridin-4-yl (E)-5-(2-methoxyphenyl)-2-(3-methoxypropyl)-5-oxopent-3-eneperoxoate hydrochloride Traditional Name: (E)-5-keto-5-(2-methoxyphenyl)-2-(3-methoxypropyl)pent-3-eneperoxoic acid 4-pyridyl ester hydrochloride Formula: C21H24ClNO6 MolecularWeight: 421.87136

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Descriptors Computed from Structure

Canonical SMILES:

COCCCC(C=CC(=O)C1=CC=CC=C1OC)C(=O)OOC2=CC=NC=C2.Cl

Isomeric SMILES

COCCCC(/C=C/C(=O)C1=CC=CC=C1OC)C(=O)OOC2=CC=NC=C2.Cl

InChI

InChI=1S/C21H23NO6.ClH/c1-25-15-5-6-16(21(24)28-27-17-11-13-22-14-12-17)9-10-19(23)18-7-3-4-8-20(18)26-2;/h3-4,7-14,16H,5-6,15H2,1-2H3;1H/b10-9+;