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CHEBI:123318 - 6-[oxo-[2-[oxo-[4-(4-propan-2-ylphenyl)-1-piperazinyl]methyl]anilino]methyl]-1-cyclohex-3-enecarboxylic acid

ChEBI IDCHEBI:123318
ChEBI Name6-[oxo-[2-[oxo-[4-(4-propan-2-ylphenyl)-1-piperazinyl]methyl]anilino]methyl]-1-cyclohex-3-enecarboxylic acid
Stars
DownloadsMolfile
FormulaC28H33N3O4
Net Charge0
Average Mass475.589
Monoisotopic Mass475.24711
SMILESCC(C)c1ccc(N2CCN(C(=O)c3ccccc3NC(=O)C3CC=CCC3C(=O)O)CC2)cc1
InChIInChI=1S/C28H33N3O4/c1-19(2)20-11-13-21(14-12-20)30-15-17-31(18-16-30)27(33)24-9-5-6-10-25(24)29-26(32)22-7-3-4-8-23(22)28(34)35/h3-6,9-14,19,22-23H,7-8,15-18H2,1-2H3,(H,29,32)(H,34,35)
InChIKeyDWTOCLBWWMVAPJ-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)
6-[oxo-[2-[oxo-[4-(4-propan-2-ylphenyl)-1-piperazinyl]methyl]anilino]methyl]-1-cyclohex-3-enecarboxylic acid (CHEBI:123318) is a amidobenzoic acid (CHEBI:48470)
Manual XrefsDatabases
LSM-34761LINCS