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

Systemtic Name: pyridin-4-yl (E)-5-cyclohexyl-2-(3-methoxypropyl)-5-oxidanylidene-pent-3-eneperoxoate hydrochloride Openeye Name: 4-pyridyl (E)-5-cyclohexyl-2-(3-methoxypropyl)-5-oxo-pent-3-eneperoxoate hydrochloride CAS Name: (E)-5-cyclohexyl-2-(3-methoxypropyl)-5-oxo-3-penteneperoxoic acid pyridin-4-yl ester hydrochloride IUPAC Name: pyridin-4-yl (E)-5-cyclohexyl-2-(3-methoxypropyl)-5-oxopent-3-eneperoxoate hydrochloride Traditional Name: (E)-5-cyclohexyl-5-keto-2-(3-methoxypropyl)pent-3-eneperoxoic acid 4-pyridyl ester hydrochloride Formula: C20H28ClNO5 MolecularWeight: 397.89302

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Descriptors Computed from Structure

Canonical SMILES:

COCCCC(C=CC(=O)C1CCCCC1)C(=O)OOC2=CC=NC=C2.Cl

Isomeric SMILES

COCCCC(/C=C/C(=O)C1CCCCC1)C(=O)OOC2=CC=NC=C2.Cl

InChI

InChI=1S/C20H27NO5.ClH/c1-24-15-5-8-17(9-10-19(22)16-6-3-2-4-7-16)20(23)26-25-18-11-13-21-14-12-18;/h9-14,16-17H,2-8,15H2,1H3;1H/b10-9+;