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

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ChEBI Name 2-(3,5-dimethylphenoxy)acetic acid [3-(1H-benzimidazol-2-yl)-3-cyano-2-oxopropyl] ester ChEBI ID CHEBI:114422 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C21H19N3O4 Net Charge 0 Average Mass 377.394 Monoisotopic Mass 377.13756 InChI InChI=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) InChIKey RALSDBNHMUYRDW-UHFFFAOYSA-N SMILES CC1=CC(=CC(=C1)OCC(=O)OCC(=O)C(C#N)C2=NC3=CC=CC=C3N2)C Roles Classification Chemical Role(s): Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) View more via ChEBI Ontology ChEBI Ontology Outgoing 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 Xref Database LSM-25883 LINCS View more database links