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

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ChEBI Name 4-(5-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)benzoic acid 8-quinolinyl ester
ChEBI ID CHEBI:108282
Stars This entity has been manually annotated by a third party.
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Formula C25H22N2O4
Net Charge 0
Average Mass 414.454
Monoisotopic Mass 414.15796
InChI InChI=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
InChIKey FRIOBXUBAMOZEG-UHFFFAOYSA-N
SMILES CC1CCC2C(C1)C(=O)N(C2=O)C3=CC=C(C=C3)C(=O)OC4=CC=CC5=C4N=CC=C5
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing 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)
Manual Xref Database
LSM-19659 LINCS
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