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CHEBI:94036 - 5-bromo-2-[[2-(4-tert-butylphenoxy)-1-oxoethyl]amino]benzoic acid methyl ester

ChEBI IDCHEBI:94036
ChEBI Name5-bromo-2-[[2-(4-tert-butylphenoxy)-1-oxoethyl]amino]benzoic acid methyl ester
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DownloadsMolfile
FormulaC20H22BrNO4
Net Charge0
Average Mass420.303
Monoisotopic Mass419.07322
SMILESCOC(=O)c1cc(Br)ccc1NC(=O)COc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H22BrNO4/c1-20(2,3)13-5-8-15(9-6-13)26-12-18(23)22-17-10-7-14(21)11-16(17)19(24)25-4/h5-11H,12H2,1-4H3,(H,22,23)
InChIKeyINGUWWSFDCFHCG-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)
5-bromo-2-[[2-(4-tert-butylphenoxy)-1-oxoethyl]amino]benzoic acid methyl ester (CHEBI:94036) is a amidobenzoic acid (CHEBI:48470)
Manual XrefsDatabases
LSM-4632LINCS