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CHEBI:191023 - Benzoic acid, 4-[(1s)-1-[[5-chloro-2-(4-fluorophenoxy)benzoyl]amino]ethyl]-

ChEBI IDCHEBI:191023
ChEBI NameBenzoic acid, 4-[(1s)-1-[[5-chloro-2-(4-fluorophenoxy)benzoyl]amino]ethyl]-
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H17ClFNO4
Net Charge0
Average Mass413.832
Monoisotopic Mass413.08301
SMILESC[C@H](NC(=O)c1cc(Cl)ccc1Oc1ccc(F)cc1)c1ccc(C(=O)O)cc1
InChIInChI=1S/C22H17ClFNO4/c1-13(14-2-4-15(5-3-14)22(27)28)25-21(26)19-12-16(23)6-11-20(19)29-18-9-7-17(24)8-10-18/h2-13H,1H3,(H,25,26)(H,27,28)/t13-/m0/s1
InChIKeyMWBNCZHVEXULBD-ZDUSSCGKSA-N
Species of MetaboliteComponentSourceComments
Rattus norvegicus (ncbitaxon:10116) INS-1 cell (BTO:0002135) MetaboLights (MTBLS3963)
ChEBI Ontology
Outgoing Relation(s)
Benzoic acid, 4-[(1s)-1-[[5-chloro-2-(4-fluorophenoxy)benzoyl]amino]ethyl]- (CHEBI:191023) is a aromatic ether (CHEBI:35618)
IUPAC Name 
4-[(1S)-1-[[5-chloro-2-(4-luorophenoxy)benzoyl]amino]ethyl]benzoic acid
Manual XrefsDatabases
9699240ChemSpider