2-[[4-tert-butyl-5-methoxy-2-(2-oxidanylidene-1H-pyridin-3-yl)phenyl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[4-tert-butyl-5-methoxy-2-(2-oxidanylidene-1H-pyridin-3-yl)phenyl]methyl]isoindole-1,3-dione Openeye Name: 2-[[4-tert-butyl-5-methoxy-2-(2-oxo-1H-pyridin-3-yl)phenyl]methyl]isoindoline-1,3-dione CAS Name: 2-[[4-tert-butyl-5-methoxy-2-(2-oxo-1H-pyridin-3-yl)phenyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[4-tert-butyl-5-methoxy-2-(2-oxo-1H-pyridin-3-yl)phenyl]methyl]isoindole-1,3-dione Traditional Name: 2-[4-tert-butyl-2-(2-keto-1H-pyridin-3-yl)-5-methoxy-benzyl]isoindoline-1,3-quinone Formula: C25H24N2O4 MolecularWeight: 416.46906

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=C(C(=C1)C2=CC=CNC2=O)CN3C(=O)C4=CC=CC=C4C3=O)OC

Isomeric SMILES

CC(C)(C)C1=C(C=C(C(=C1)C2=CC=CNC2=O)CN3C(=O)C4=CC=CC=C4C3=O)OC

InChI

InChI=1S/C25H24N2O4/c1-25(2,3)20-13-19(16-10-7-11-26-22(16)28)15(12-21(20)31-4)14-27-23(29)17-8-5-6-9-18(17)24(27)30/h5-13H,14H2,1-4H3,(H,26,28)