2-[[4-oxidanyl-3,5-di(propanoyl)phenyl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[4-oxidanyl-3,5-di(propanoyl)phenyl]methyl]isoindole-1,3-dione Openeye Name: 2-[[4-hydroxy-3,5-di(propanoyl)phenyl]methyl]isoindoline-1,3-dione CAS Name: 2-[[4-hydroxy-3,5-bis(1-oxopropyl)phenyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[4-hydroxy-3,5-di(propanoyl)phenyl]methyl]isoindole-1,3-dione Traditional Name: 2-(4-hydroxy-3,5-dipropionyl-benzyl)isoindoline-1,3-quinone Formula: C21H19NO5 MolecularWeight: 365.37926

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC(=CC(=C1O)C(=O)CC)CN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CCC(=O)C1=CC(=CC(=C1O)C(=O)CC)CN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C21H19NO5/c1-3-17(23)15-9-12(10-16(19(15)25)18(24)4-2)11-22-20(26)13-7-5-6-8-14(13)21(22)27/h5-10,25H,3-4,11H2,1-2H3