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CHEBI:105786 - 2-cyano-3-[4-[2-(2,4-dimethylanilino)-2-oxoethoxy]-3-methoxyphenyl]-2-propenoic acid ethyl ester

ChEBI IDCHEBI:105786
ChEBI Name2-cyano-3-[4-[2-(2,4-dimethylanilino)-2-oxoethoxy]-3-methoxyphenyl]-2-propenoic acid ethyl ester
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FormulaC23H24N2O5
Net Charge0
Average Mass408.454
Monoisotopic Mass408.16852
SMILESCCOC(=O)C(C#N)=Cc1ccc(OCC(=O)Nc2ccc(C)cc2C)c(OC)c1
InChIInChI=1S/C23H24N2O5/c1-5-29-23(27)18(13-24)11-17-7-9-20(21(12-17)28-4)30-14-22(26)25-19-8-6-15(2)10-16(19)3/h6-12H,5,14H2,1-4H3,(H,25,26)
InChIKeyCUTUECHMSUWIPQ-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
2-cyano-3-[4-[2-(2,4-dimethylanilino)-2-oxoethoxy]-3-methoxyphenyl]-2-propenoic acid ethyl ester (CHEBI:105786) is a hydroxycinnamic acid (CHEBI:24689)
Manual XrefsDatabases
LSM-17148LINCS