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CHEBI:107452 - 4-[[4-[2-cyano-3-(4-methoxyanilino)-3-oxoprop-1-enyl]-2-methoxyphenoxy]methyl]benzoic acid

Default Structure
ChEBI IDCHEBI:107452
ChEBI Name4-[[4-[2-cyano-3-(4-methoxyanilino)-3-oxoprop-1-enyl]-2-methoxyphenoxy]methyl]benzoic acid
Stars
Last Modified7 March 2018
DownloadsMolfile
FormulaC26H22N2O6
Net Charge0
Average Mass458.470
Monoisotopic Mass458.14779
SMILESCOc1ccc(NC(=O)C(C#N)=Cc2ccc(OCc3ccc(C(=O)O)cc3)c(OC)c2)cc1
InChIInChI=1S/C26H22N2O6/c1-32-22-10-8-21(9-11-22)28-25(29)20(15-27)13-18-5-12-23(24(14-18)33-2)34-16-17-3-6-19(7-4-17)26(30)31/h3-14H,16H2,1-2H3,(H,28,29)(H,30,31)
InChIKeyORXDHFRLJLDTBE-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-[[4-[2-cyano-3-(4-methoxyanilino)-3-oxoprop-1-enyl]-2-methoxyphenoxy]methyl]benzoic acid (CHEBI:107452) is a cinnamamides (CHEBI:23247)
4-[[4-[2-cyano-3-(4-methoxyanilino)-3-oxoprop-1-enyl]-2-methoxyphenoxy]methyl]benzoic acid (CHEBI:107452) is a secondary carboxamide (CHEBI:140325)
Manual XrefsDatabases
LSM-18807LINCS