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CHEBI:108282 - 4-(5-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)benzoic acid 8-quinolinyl ester

ChEBI IDCHEBI:108282
ChEBI Name4-(5-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)benzoic acid 8-quinolinyl ester
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DownloadsMolfile
FormulaC25H22N2O4
Net Charge0
Average Mass414.461
Monoisotopic Mass414.15796
SMILESCC1CCC2C(=O)N(c3ccc(C(=O)Oc4cccc5cccnc45)cc3)C(=O)C2C1
InChIInChI=1S/C25H22N2O4/c1-15-7-12-19-20(14-15)24(29)27(23(19)28)18-10-8-17(9-11-18)25(30)31-21-6-2-4-16-5-3-13-26-22(16)21/h2-6,8-11,13,15,19-20H,7,12,14H2,1H3
InChIKeyFRIOBXUBAMOZEG-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-(5-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)benzoic acid 8-quinolinyl ester (CHEBI:108282) is a amidobenzoic acid (CHEBI:48470)
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