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

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ChEBI Name 2-cyano-3-[4-[2-(2,4-dimethylanilino)-2-oxoethoxy]-3-methoxyphenyl]-2-propenoic acid ethyl ester
ChEBI ID CHEBI:105786
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C23H24N2O5
Net Charge 0
Average Mass 408.448
Monoisotopic Mass 408.16852
InChI InChI=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)
InChIKey CUTUECHMSUWIPQ-UHFFFAOYSA-N
SMILES CCOC(=O)C(=CC1=CC(=C(C=C1)OCC(=O)NC2=C(C=C(C=C2)C)C)OC)C#N
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing 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 Xref Database
LSM-17148 LINCS
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