EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:93912 - 2-[[[4-[[2-(4-chloro-2-methylphenoxy)-1-oxopropyl]amino]phenyl]-oxomethyl]amino]benzoic acid

Default Structure
ChEBI IDCHEBI:93912
ChEBI Name2-[[[4-[[2-(4-chloro-2-methylphenoxy)-1-oxopropyl]amino]phenyl]-oxomethyl]amino]benzoic acid
Stars
DownloadsMolfile
FormulaC24H21ClN2O5
Net Charge0
Average Mass452.894
Monoisotopic Mass452.11390
SMILESCc1cc(Cl)ccc1OC(C)C(=O)Nc1ccc(C(=O)Nc2ccccc2C(=O)O)cc1
InChIInChI=1S/C24H21ClN2O5/c1-14-13-17(25)9-12-21(14)32-15(2)22(28)26-18-10-7-16(8-11-18)23(29)27-20-6-4-3-5-19(20)24(30)31/h3-13,15H,1-2H3,(H,26,28)(H,27,29)(H,30,31)
InChIKeyDBBPQMWXSBYRKK-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[[[4-[[2-(4-chloro-2-methylphenoxy)-1-oxopropyl]amino]phenyl]-oxomethyl]amino]benzoic acid (CHEBI:93912) is a benzamides (CHEBI:22702)
Manual XrefsDatabases
LSM-4490LINCS