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CHEBI:31123 - methyl {2-[(1R)-1-(3,4-dimethoxyphenyl)-4-oxocyclohex-2-en-1-yl]ethyl}methylcarbamate

ChEBI IDCHEBI:31123
ChEBI Namemethyl {2-[(1R)-1-(3,4-dimethoxyphenyl)-4-oxocyclohex-2-en-1-yl]ethyl}methylcarbamate
Stars
ASCII Namemethyl {2-[(1R)-1-(3,4-dimethoxyphenyl)-4-oxocyclohex-2-en-1-yl]ethyl}methylcarbamate
DefinitionA member of the class of cyclohexenones that is cyclohex-2-en-1-one in which the hydrogens at position 4 have been replaced by a 3,4-dimethoxyphenyl and a 2-[(methoxycarbonyl)(methyl)amino]ethyl group. The compound has been used in enantioselective syntheses of Scleretium alkaloids.
Last Modified31 March 2015
DownloadsMolfile
FormulaC19H25NO5
Net Charge0
Average Mass347.411
Monoisotopic Mass347.17327
SMILESCOC(=O)N(C)CC[C@@]1(c2ccc(OC)c(OC)c2)C=CC(=O)CC1
InChIInChI=1S/C19H25NO5/c1-20(18(22)25-4)12-11-19(9-7-15(21)8-10-19)14-5-6-16(23-2)17(13-14)24-3/h5-7,9,13H,8,10-12H2,1-4H3/t19-/m1/s1
InChIKeyCKDCKFZTWLVMGR-LJQANCHMSA-N
ChEBI Ontology
Outgoing Relation(s)
methyl {2-[(1R)-1-(3,4-dimethoxyphenyl)-4-oxocyclohex-2-en-1-yl]ethyl}methylcarbamate (CHEBI:31123) is a aromatic ether (CHEBI:35618)
methyl {2-[(1R)-1-(3,4-dimethoxyphenyl)-4-oxocyclohex-2-en-1-yl]ethyl}methylcarbamate (CHEBI:31123) is a carbamate ester (CHEBI:23003)
methyl {2-[(1R)-1-(3,4-dimethoxyphenyl)-4-oxocyclohex-2-en-1-yl]ethyl}methylcarbamate (CHEBI:31123) is a cyclohexenones (CHEBI:48953)
methyl {2-[(1R)-1-(3,4-dimethoxyphenyl)-4-oxocyclohex-2-en-1-yl]ethyl}methylcarbamate (CHEBI:31123) is a enone (CHEBI:51689)
IUPAC Name 
methyl {2-[(1R)-1-(3,4-dimethoxyphenyl)-4-oxocyclohex-2-en-1-yl]ethyl}methylcarbamate
Manual XrefsDatabases
C12262KEGG COMPOUND
Registry NumbersSources
Reaxys:2785905Reaxys