CHEBI:228759 - 2-{1-[2-(4-benzhydrylpiperazino)-2-oxoethyl]cyclopentyl}acetic acid

ChEBI IDCHEBI:228759
ChEBI Name2-{1-[2-(4-benzhydrylpiperazino)-2-oxoethyl]cyclopentyl}acetic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H32N2O3
Net Charge0
Average Mass420.553
Monoisotopic Mass420.24129
SMILESO=C(O)CC1(CC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)CCCC1
InChIInChI=1S/C26H32N2O3/c29-23(19-26(20-24(30)31)13-7-8-14-26)27-15-17-28(18-16-27)25(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-6,9-12,25H,7-8,13-20H2,(H,30,31)
InChIKeyGLJDWAQYHLAMPV-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) MetaboLights (MTBLS8662)
ChEBI Ontology
Outgoing Relation(s)
2-{1-[2-(4-benzhydrylpiperazino)-2-oxoethyl]cyclopentyl}acetic acid (CHEBI:228759) is a diarylmethane (CHEBI:51614)
IUPAC Name 
2-[1-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid
Manual XrefsDatabases
2088119ChemSpider
2CJPDBeChem