N-(4-acetamidophenyl)-Indomethacin amide (CHEBI:188140)

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CHEBI:188140 - N-(4-acetamidophenyl)-Indomethacin amide

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ChEBI ID	CHEBI:188140
ChEBI Name	N-(4-acetamidophenyl)-Indomethacin amide
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C27H24ClN3O4
Net Charge	0
Average Mass	489.959
Monoisotopic Mass	489.14553
SMILES	COc1ccc2c(c1)c(CC(=O)Nc1ccc(NC(C)=O)cc1)c(C)n2C(=O)c1ccc(Cl)cc1
InChI	InChI=1S/C27H24ClN3O4/c1-16-23(15-26(33)30-21-10-8-20(9-11-21)29-17(2)32)24-14-22(35-3)12-13-25(24)31(16)27(34)18-4-6-19(28)7-5-18/h4-14H,15H2,1-3H3,(H,29,32)(H,30,33)
InChIKey	CVMUUPNNEPVQCL-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Homo sapiens (ncbitaxon:9606)	blood plasma (BTO:0000131)	MetaboLights (MTBLS2224)

ChEBI Ontology

Outgoing Relation(s)
	N-(4-acetamidophenyl)-Indomethacin amide (CHEBI:188140) is a N-acylindole (CHEBI:75884)

IUPAC Name
N-(4-acetamidophenyl)-2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetamide

Manual Xrefs	Databases
3305343	ChemSpider