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CHEBI:136837 - 2-methoxyethyl 2-(4-tert-butylphenyl)-2-cyano-3-oxo-3-[2-(trifluoromethyl)phenyl]propanoate

ChEBI IDCHEBI:136837
ChEBI Name2-methoxyethyl 2-(4-tert-butylphenyl)-2-cyano-3-oxo-3-[2-(trifluoromethyl)phenyl]propanoate
Stars
ASCII Name2-methoxyethyl 2-(4-tert-butylphenyl)-2-cyano-3-oxo-3-[2-(trifluoromethyl)phenyl]propanoate
DefinitionA nitrile that is acetonitrile in which the methyl hydrogens have been replaced by o-trifluoromethylbenzoyl, p-tert-butylphenyl, and (2-methoxyethoxy)carbonyl groups.
Last Modified13 April 2017
SubmitterGareth Owen
DownloadsMolfile
FormulaC24H24F3NO4
Net Charge0
Average Mass447.453
Monoisotopic Mass447.16574
SMILESCOCCOC(=O)C(C#N)(C(=O)c1ccccc1C(F)(F)F)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C24H24F3NO4/c1-22(2,3)16-9-11-17(12-10-16)23(15-28,21(30)32-14-13-31-4)20(29)18-7-5-6-8-19(18)24(25,26)27/h5-12H,13-14H2,1-4H3
InChIKeyAWSZRJQNBMEZOI-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-methoxyethyl 2-(4-tert-butylphenyl)-2-cyano-3-oxo-3-[2-(trifluoromethyl)phenyl]propanoate (CHEBI:136837) is a (trifluoromethyl)benzenes (CHEBI:83565)
2-methoxyethyl 2-(4-tert-butylphenyl)-2-cyano-3-oxo-3-[2-(trifluoromethyl)phenyl]propanoate (CHEBI:136837) is a 2-methoxyethyl ester (CHEBI:136838)
2-methoxyethyl 2-(4-tert-butylphenyl)-2-cyano-3-oxo-3-[2-(trifluoromethyl)phenyl]propanoate (CHEBI:136837) is a nitrile (CHEBI:18379)
2-methoxyethyl 2-(4-tert-butylphenyl)-2-cyano-3-oxo-3-[2-(trifluoromethyl)phenyl]propanoate (CHEBI:136837) is a β-ketoester (CHEBI:51849)
Incoming Relation(s)
(R)-cyflumetofen (CHEBI:136835) is a 2-methoxyethyl 2-(4-tert-butylphenyl)-2-cyano-3-oxo-3-[2-(trifluoromethyl)phenyl]propanoate (CHEBI:136837)
(S)-cyflumetofen (CHEBI:136836) is a 2-methoxyethyl 2-(4-tert-butylphenyl)-2-cyano-3-oxo-3-[2-(trifluoromethyl)phenyl]propanoate (CHEBI:136837)
IUPAC Name 
2-methoxyethyl 2-(4-tert-butylphenyl)-2-cyano-3-oxo-3-[2-(trifluoromethyl)phenyl]propanoate
Manual XrefsDatabases
1143PPDB