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CHEBI:112322 - 3-[4-[3-(4-bromophenyl)-3-oxoprop-1-enyl]-3-(4-methylphenyl)-1-pyrazolyl]propanoic acid

ChEBI IDCHEBI:112322
ChEBI Name3-[4-[3-(4-bromophenyl)-3-oxoprop-1-enyl]-3-(4-methylphenyl)-1-pyrazolyl]propanoic acid
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DownloadsMolfile
FormulaC22H19BrN2O3
Net Charge0
Average Mass439.309
Monoisotopic Mass438.05790
SMILESCc1ccc(-c2nn(CCC(=O)O)cc2C=CC(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C22H19BrN2O3/c1-15-2-4-17(5-3-15)22-18(14-25(24-22)13-12-21(27)28)8-11-20(26)16-6-9-19(23)10-7-16/h2-11,14H,12-13H2,1H3,(H,27,28)
InChIKeyODPJFPAJUAAVPL-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3-[4-[3-(4-bromophenyl)-3-oxoprop-1-enyl]-3-(4-methylphenyl)-1-pyrazolyl]propanoic acid (CHEBI:112322) is a pyrazoles (CHEBI:26410)
3-[4-[3-(4-bromophenyl)-3-oxoprop-1-enyl]-3-(4-methylphenyl)-1-pyrazolyl]propanoic acid (CHEBI:112322) is a ring assembly (CHEBI:36820)
Manual XrefsDatabases
LSM-23734LINCS