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CHEBI:184027 - Benzoic acid, 4-[[4-(1h-indol-4-yl)-1-piperazinyl]methyl]-, 1,1-dimethylethyl ester

ChEBI IDCHEBI:184027
ChEBI NameBenzoic acid, 4-[[4-(1h-indol-4-yl)-1-piperazinyl]methyl]-, 1,1-dimethylethyl ester
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H29N3O2
Net Charge0
Average Mass391.515
Monoisotopic Mass391.22598
SMILESCC(C)(C)OC(=O)c1ccc(CN2CCN(c3cccc4nccc34)CC2)cc1
InChIInChI=1S/C24H29N3O2/c1-24(2,3)29-23(28)19-9-7-18(8-10-19)17-26-13-15-27(16-14-26)22-6-4-5-21-20(22)11-12-25-21/h4-12,25H,13-17H2,1-3H3
InChIKeyWVPYSZULKPMZLZ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Nippostrongylus brasiliensis (ncbitaxon:27835) Whole Organism (NCIT:C13413) MetaboLights (MTBLS3486)
Mus musculus (ncbitaxon:10090) small intestine (BTO:0000651) MetaboLights (MTBLS3486) Strain: C57BL/6 Mouse [THESAURUS.OWL#C14424]
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Benzoic acid, 4-[[4-(1h-indol-4-yl)-1-piperazinyl]methyl]-, 1,1-dimethylethyl ester (CHEBI:184027) is a N-arylpiperazine (CHEBI:46848)
IUPAC Name 
tert-butyl 4-[[4-(1H-indol-4-yl)piperazin-1-yl]methyl]benzoate
Manual XrefsDatabases
21467566ChemSpider