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CHEBI:112712 - 4-[[2-[4-(4-chlorophenyl)-1-piperazinyl]-1-oxoethyl]amino]benzoic acid methyl ester

ChEBI IDCHEBI:112712
ChEBI Name4-[[2-[4-(4-chlorophenyl)-1-piperazinyl]-1-oxoethyl]amino]benzoic acid methyl ester
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DownloadsMolfile
FormulaC20H22ClN3O3
Net Charge0
Average Mass387.867
Monoisotopic Mass387.13497
SMILESCOC(=O)c1ccc(NC(=O)CN2CCN(c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C20H22ClN3O3/c1-27-20(26)15-2-6-17(7-3-15)22-19(25)14-23-10-12-24(13-11-23)18-8-4-16(21)5-9-18/h2-9H,10-14H2,1H3,(H,22,25)
InChIKeyWLIODTVOCGVXFW-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
4-[[2-[4-(4-chlorophenyl)-1-piperazinyl]-1-oxoethyl]amino]benzoic acid methyl ester (CHEBI:112712) is a amidobenzoic acid (CHEBI:48470)
Manual XrefsDatabases
LSM-24122LINCS