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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4-[[4-[2-cyano-3-(4-methoxyanilino)-3-oxoprop-1-enyl]-2-methoxyphenoxy]methyl]benzoic acid
ChEBI ID CHEBI:107452
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C26H22N2O6
Net Charge 0
Average Mass 458.464
Monoisotopic Mass 458.14779
InChI InChI=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)
InChIKey ORXDHFRLJLDTBE-UHFFFAOYSA-N
SMILES COC1=CC=C(C=C1)NC(=O)C(=CC2=CC(=C(C=C2)OCC3=CC=C(C=C3)C(=O)O)OC)C#N
ChEBI Ontology
Outgoing 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 Xref Database
LSM-18807 LINCS
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Last Modified
07 March 2018