EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:114682 - acetic acid [2-[2-acetyl-3-(4-methoxyphenyl)-3,4-dihydropyrazol-5-yl]phenyl] ester

ChEBI IDCHEBI:114682
ChEBI Nameacetic acid [2-[2-acetyl-3-(4-methoxyphenyl)-3,4-dihydropyrazol-5-yl]phenyl] ester
Stars
DownloadsMolfile
FormulaC20H20N2O4
Net Charge0
Average Mass352.390
Monoisotopic Mass352.14231
SMILESCOc1ccc(C2CC(c3ccccc3OC(C)=O)=NN2C(C)=O)cc1
InChIInChI=1S/C20H20N2O4/c1-13(23)22-19(15-8-10-16(25-3)11-9-15)12-18(21-22)17-6-4-5-7-20(17)26-14(2)24/h4-11,19H,12H2,1-3H3
InChIKeyZMNZKBKAGCIHEI-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
acetic acid [2-[2-acetyl-3-(4-methoxyphenyl)-3,4-dihydropyrazol-5-yl]phenyl] ester (CHEBI:114682) is a benzoate ester (CHEBI:36054)
acetic acid [2-[2-acetyl-3-(4-methoxyphenyl)-3,4-dihydropyrazol-5-yl]phenyl] ester (CHEBI:114682) is a phenols (CHEBI:33853)
Manual XrefsDatabases
LSM-26144LINCS