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CHEBI:45377 - 2-{4-[(3,5-DIMETHYLANILINO)-CARBONYL-METHYL]-PHENOXY}-2-METHYLPROPIONIC ACID

Default Structure
ChEBI IDCHEBI:45377
ChEBI Name2-{4-[(3,5-DIMETHYLANILINO)-CARBONYL-METHYL]-PHENOXY}-2-METHYLPROPIONIC ACID
Stars
Last Modified22 February 2017
DownloadsMolfile
FormulaC20H23NO4
Net Charge0
Average Mass341.407
Monoisotopic Mass341.16271
SMILESCc1cc(C)cc(NC(=O)Cc2ccc(OC(C)(C)C(=O)O)cc2)c1
InChIInChI=1S/C20H23NO4/c1-13-9-14(2)11-16(10-13)21-18(22)12-15-5-7-17(8-6-15)25-20(3,4)19(23)24/h5-11H,12H2,1-4H3,(H,21,22)(H,23,24)
InChIKeyBNFRJXLZYUTIII-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-{4-[(3,5-DIMETHYLANILINO)-CARBONYL-METHYL]-PHENOXY}-2-METHYLPROPIONIC ACID (CHEBI:45377) is a organic molecular entity (CHEBI:50860)
Synonyms  Source
2-(4-{2-[(3,5-dimethylphenyl)amino]-2-oxoethyl}phenoxy)-2-methylpropanoic acidPDBeChem
2-{4-[(3,5-DIMETHYLANILINO)-CARBONYL-METHYL]-PHENOXY}-2-METHYLPROPIONIC ACIDPDBeChem
efaproxiral sodiumDrugCentral
Manual XrefsDatabases
4465DrugCentral
RQ3PDBeChem
Registry NumbersSources
CAS:131179-95-8DrugCentral