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CHEBI:183979 - 1h-indole-3-carboxylic acid, 1-[(4-fluorophenyl)methyl]-, 8-quinolinyl ester

ChEBI IDCHEBI:183979
ChEBI Name1h-indole-3-carboxylic acid, 1-[(4-fluorophenyl)methyl]-, 8-quinolinyl ester
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H17FN2O2
Net Charge0
Average Mass396.421
Monoisotopic Mass396.12741
SMILESO=C(Oc1cccc2cccnc12)c1cn(Cc2ccc(F)cc2)c2ccccc12
InChIInChI=1S/C25H17FN2O2/c26-19-12-10-17(11-13-19)15-28-16-21(20-7-1-2-8-22(20)28)25(29)30-23-9-3-5-18-6-4-14-27-24(18)23/h1-14,16H,15H2
InChIKeyROHVURVXAOMRJY-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) small intestine (BTO:0000651) MetaboLights (MTBLS3486) Strain: C57BL/6 Mouse [THESAURUS.OWL#C14424]
Nippostrongylus brasiliensis (ncbitaxon:27835) Whole Organism (NCIT:C13413) MetaboLights (MTBLS3486)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
1h-indole-3-carboxylic acid, 1-[(4-fluorophenyl)methyl]-, 8-quinolinyl ester (CHEBI:183979) is a indolyl carboxylic acid (CHEBI:46867)
IUPAC Name 
quinolin-8-yl 1-[(4-luorophenyl)methyl]indole-3-carboxylate
Manual XrefsDatabases
29763736ChemSpider