EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:116474 - 3-(3,4,5-trimethoxyphenyl)propanoic acid [2-(3,5-dimethoxyanilino)-2-oxoethyl] ester

ChEBI IDCHEBI:116474
ChEBI Name3-(3,4,5-trimethoxyphenyl)propanoic acid [2-(3,5-dimethoxyanilino)-2-oxoethyl] ester
Stars
DownloadsMolfile
FormulaC22H27NO8
Net Charge0
Average Mass433.457
Monoisotopic Mass433.17367
SMILESCOc1cc(NC(=O)COC(=O)CCc2cc(OC)c(OC)c(OC)c2)cc(OC)c1
InChIInChI=1S/C22H27NO8/c1-26-16-10-15(11-17(12-16)27-2)23-20(24)13-31-21(25)7-6-14-8-18(28-3)22(30-5)19(9-14)29-4/h8-12H,6-7,13H2,1-5H3,(H,23,24)
InChIKeyDVYYGZOSLREYPL-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3-(3,4,5-trimethoxyphenyl)propanoic acid [2-(3,5-dimethoxyanilino)-2-oxoethyl] ester (CHEBI:116474) is a dimethoxybenzene (CHEBI:51681)
Manual XrefsDatabases
LSM-27928LINCS