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

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ChEBI Name Benzoic acid, 4-[(1s)-1-[[5-chloro-2-(4-fluorophenoxy)benzoyl]amino]ethyl]-
ChEBI ID CHEBI:191023
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H17ClFNO4
Net Charge 0
Average Mass 413.830
Monoisotopic Mass 413.08301
InChI InChI=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
InChIKey MWBNCZHVEXULBD-ZDUSSCGKSA-N
SMILES ClC1=CC(C(=O)N[C@H](C2=CC=C(C=C2)C(O)=O)C)=C(OC3=CC=C(F)C=C3)C=C1
Metabolite of Species Details
Rattus norvegicus (NCBI:txid10116) Found in INS-1 cell (BTO:0002135). See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xref Database
9699240 ChemSpider
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