CHEBI:109808 - 3-(1,3-dioxo-2-isoindolyl)propanoic acid [4-[(4-methylanilino)-oxomethyl]phenyl] ester

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-(1,3-dioxo-2-isoindolyl)propanoic acid [4-[(4-methylanilino)-oxomethyl]phenyl] ester
ChEBI ID CHEBI:109808
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C25H20N2O5
Net Charge 0
Average Mass 428.438
Monoisotopic Mass 428.13722
InChI InChI=1S/C25H20N2O5/c1-16-6-10-18(11-7-16)26-23(29)17-8-12-19(13-9-17)32-22(28)14-15-27-24(30)20-4-2-3-5-21(20)25(27)31/h2-13H,14-15H2,1H3,(H,26,29)
InChIKey SFBNFKRRYXPMQF-UHFFFAOYSA-N
SMILES CC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)OC(=O)CCN3C(=O)C4=CC=CC=C4C3=O
ChEBI Ontology
Outgoing 3-(1,3-dioxo-2-isoindolyl)propanoic acid [4-[(4-methylanilino)-oxomethyl]phenyl] ester (CHEBI:109808) is a benzamides (CHEBI:22702)
Manual Xref Database
LSM-21236 LINCS
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