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CHEBI:112734 - 4-[[4-[(4-methylphenyl)methyl]-1-piperazinyl]iminomethyl]benzoic acid

ChEBI IDCHEBI:112734
ChEBI Name4-[[4-[(4-methylphenyl)methyl]-1-piperazinyl]iminomethyl]benzoic acid
Stars
DownloadsMolfile
FormulaC20H23N3O2
Net Charge0
Average Mass337.423
Monoisotopic Mass337.17903
SMILESCc1ccc(CN2CCN(N=Cc3ccc(C(=O)O)cc3)CC2)cc1
InChIInChI=1S/C20H23N3O2/c1-16-2-4-18(5-3-16)15-22-10-12-23(13-11-22)21-14-17-6-8-19(9-7-17)20(24)25/h2-9,14H,10-13,15H2,1H3,(H,24,25)
InChIKeyCXDBXMSOGOSCJY-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-[[4-[(4-methylphenyl)methyl]-1-piperazinyl]iminomethyl]benzoic acid (CHEBI:112734) is a benzoic acids (CHEBI:22723)
Manual XrefsDatabases
LSM-24144LINCS