CHEBI:48665 - ethyl 2-[5-benzyloxy-4'-(trifluoromethyl)biphenyl-3-yl]pentanoate

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ChEBI Name ethyl 2-[5-benzyloxy-4'-(trifluoromethyl)biphenyl-3-yl]pentanoate
ChEBI ID CHEBI:48665
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C27H27F3O3
Net Charge 0
Average Mass 456.49670
Monoisotopic Mass 456.19123
InChI InChI=1S/C27H27F3O3/c1-3-8-25(26(31)32-4-2)22-15-21(20-11-13-23(14-12-20)27(28,29)30)16-24(17-22)33-18-19-9-6-5-7-10-19/h5-7,9-17,25H,3-4,8,18H2,1-2H3
InChIKey FPNCIWGMSIVXLX-UHFFFAOYSA-N
SMILES CCCC(C(=O)OCC)c1cc(OCc2ccccc2)cc(c1)-c1ccc(cc1)C(F)(F)F
ChEBI Ontology
Outgoing ethyl 2-[5-benzyloxy-4'-(trifluoromethyl)biphenyl-3-yl]pentanoate (CHEBI:48665) has part benzyloxy group (CHEBI:48508)
ethyl 2-[5-benzyloxy-4'-(trifluoromethyl)biphenyl-3-yl]pentanoate (CHEBI:48665) is a (trifluoromethyl)benzenes (CHEBI:83565)
ethyl 2-[5-benzyloxy-4'-(trifluoromethyl)biphenyl-3-yl]pentanoate (CHEBI:48665) is a aromatic ether (CHEBI:35618)
ethyl 2-[5-benzyloxy-4'-(trifluoromethyl)biphenyl-3-yl]pentanoate (CHEBI:48665) is a benzyl ether (CHEBI:59859)
ethyl 2-[5-benzyloxy-4'-(trifluoromethyl)biphenyl-3-yl]pentanoate (CHEBI:48665) is a biphenylyl carboxylate ester (CHEBI:48663)
ethyl 2-[5-benzyloxy-4'-(trifluoromethyl)biphenyl-3-yl]pentanoate (CHEBI:48665) is a ethyl ester (CHEBI:23990)
IUPAC Name
ethyl 2-[5-benzyloxy-4'-(trifluoromethyl)[1,1'-biphenyl]-3-yl]pentanoate
Synonym Source
2-(5-benzyloxy-4'-trifluoromethyl-biphenyl-3-yl)-pentanoic acid ethyl ester Patent
Manual Xref Database
EP1849762 Patent
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Last Modified
02 March 2015