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CHEBI:48667 - ethyl 2-[5-hydroxy-4'-(trifluoromethyl)biphenyl-3-yl]pentanoate

ChEBI IDCHEBI:48667
ChEBI Nameethyl 2-[5-hydroxy-4'-(trifluoromethyl)biphenyl-3-yl]pentanoate
Stars
Last Modified2 March 2015
Submitterhcourrier
DownloadsMolfile
FormulaC20H21F3O3
Net Charge0
Average Mass366.379
Monoisotopic Mass366.14428
SMILESCCCC(C(=O)OCC)c1cc(O)cc(-c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C20H21F3O3/c1-3-5-18(19(25)26-4-2)15-10-14(11-17(24)12-15)13-6-8-16(9-7-13)20(21,22)23/h6-12,18,24H,3-5H2,1-2H3
InChIKeyDGINQAZHBVGROK-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
ethyl 2-[5-hydroxy-4'-(trifluoromethyl)biphenyl-3-yl]pentanoate (CHEBI:48667) is a (trifluoromethyl)benzenes (CHEBI:83565)
ethyl 2-[5-hydroxy-4'-(trifluoromethyl)biphenyl-3-yl]pentanoate (CHEBI:48667) is a biphenylyl carboxylate ester (CHEBI:48663)
ethyl 2-[5-hydroxy-4'-(trifluoromethyl)biphenyl-3-yl]pentanoate (CHEBI:48667) is a ethyl ester (CHEBI:23990)
ethyl 2-[5-hydroxy-4'-(trifluoromethyl)biphenyl-3-yl]pentanoate (CHEBI:48667) is a hydroxybiphenyls (CHEBI:24681)
IUPAC Name 
ethyl 2-[5-hydroxy-4'-(trifluoromethyl)[1,1'-biphenyl]-3-yl]pentanoate
Synonym  Source
2-(5-hydroxy-4'-trifluoromethyl-biphenyl-3-yl)-pentanoic acid ethyl esterPatent
Manual XrefsDatabases
EP1849762Patent