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CHEBI:114422 - 2-(3,5-dimethylphenoxy)acetic acid [3-(1H-benzimidazol-2-yl)-3-cyano-2-oxopropyl] ester

ChEBI IDCHEBI:114422
ChEBI Name2-(3,5-dimethylphenoxy)acetic acid [3-(1H-benzimidazol-2-yl)-3-cyano-2-oxopropyl] ester
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FormulaC21H19N3O4
Net Charge0
Average Mass377.400
Monoisotopic Mass377.13756
SMILESCc1cc(C)cc(OCC(=O)OCC(=O)C(C#N)c2nc3ccccc3n2)c1
InChIInChI=1S/C21H19N3O4/c1-13-7-14(2)9-15(8-13)27-12-20(26)28-11-19(25)16(10-22)21-23-17-5-3-4-6-18(17)24-21/h3-9,16H,11-12H2,1-2H3,(H,23,24)
InChIKeyRALSDBNHMUYRDW-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
2-(3,5-dimethylphenoxy)acetic acid [3-(1H-benzimidazol-2-yl)-3-cyano-2-oxopropyl] ester (CHEBI:114422) is a monocarboxylic acid (CHEBI:25384)
Manual XrefsDatabases
LSM-25883LINCS