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CHEBI:114200 - 2-[[1-oxo-3-(4-pentylphenyl)prop-2-enyl]amino]benzoic acid

ChEBI IDCHEBI:114200
ChEBI Name2-[[1-oxo-3-(4-pentylphenyl)prop-2-enyl]amino]benzoic acid
Stars
Last Modified7 March 2018
DownloadsMolfile
FormulaC21H23NO3
Net Charge0
Average Mass337.419
Monoisotopic Mass337.16779
SMILESCCCCCc1ccc(C=CC(=O)Nc2ccccc2C(=O)O)cc1
InChIInChI=1S/C21H23NO3/c1-2-3-4-7-16-10-12-17(13-11-16)14-15-20(23)22-19-9-6-5-8-18(19)21(24)25/h5-6,8-15H,2-4,7H2,1H3,(H,22,23)(H,24,25)
InChIKeyGAMRBCZMOOMBSQ-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)
2-[[1-oxo-3-(4-pentylphenyl)prop-2-enyl]amino]benzoic acid (CHEBI:114200) has functional parent anthranilic acid (CHEBI:30754)
2-[[1-oxo-3-(4-pentylphenyl)prop-2-enyl]amino]benzoic acid (CHEBI:114200) is a amidobenzoic acid (CHEBI:48470)
2-[[1-oxo-3-(4-pentylphenyl)prop-2-enyl]amino]benzoic acid (CHEBI:114200) is a cinnamamides (CHEBI:23247)
2-[[1-oxo-3-(4-pentylphenyl)prop-2-enyl]amino]benzoic acid (CHEBI:114200) is a secondary carboxamide (CHEBI:140325)
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