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

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ChEBI Name acetic acid [2-[2-acetyl-3-(4-methoxyphenyl)-3,4-dihydropyrazol-5-yl]phenyl] ester
ChEBI ID CHEBI:114682
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C20H20N2O4
Net Charge 0
Average Mass 352.385
Monoisotopic Mass 352.14231
InChI InChI=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
InChIKey ZMNZKBKAGCIHEI-UHFFFAOYSA-N
SMILES CC(=O)N1C(CC(=N1)C2=CC=CC=C2OC(=O)C)C3=CC=C(C=C3)OC
ChEBI Ontology
Outgoing 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 Xref Database
LSM-26144 LINCS
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