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CHEBI:114826 - 5-chloro-4-[[3-(3,4-dimethoxyphenyl)-1-oxoprop-2-enyl]amino]-2-methoxybenzoic acid methyl ester

ChEBI IDCHEBI:114826
ChEBI Name5-chloro-4-[[3-(3,4-dimethoxyphenyl)-1-oxoprop-2-enyl]amino]-2-methoxybenzoic acid methyl ester
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FormulaC20H20ClNO6
Net Charge0
Average Mass405.834
Monoisotopic Mass405.09792
SMILESCOC(=O)c1cc(Cl)c(NC(=O)C=Cc2ccc(OC)c(OC)c2)cc1OC
InChIInChI=1S/C20H20ClNO6/c1-25-16-7-5-12(9-18(16)27-3)6-8-19(23)22-15-11-17(26-2)13(10-14(15)21)20(24)28-4/h5-11H,1-4H3,(H,22,23)
InChIKeyYPQWBEOGNMKRQB-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)
5-chloro-4-[[3-(3,4-dimethoxyphenyl)-1-oxoprop-2-enyl]amino]-2-methoxybenzoic acid methyl ester (CHEBI:114826) is a amidobenzoic acid (CHEBI:48470)
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