2-[[2-(2,2-dimethylpropyl)-4-(2-methoxyethoxy)-1-oxidanylidene-isoquinolin-3-yl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[2-(2,2-dimethylpropyl)-4-(2-methoxyethoxy)-1-oxidanylidene-isoquinolin-3-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[2-(2,2-dimethylpropyl)-4-(2-methoxyethoxy)-1-oxo-3-isoquinolyl]methyl]isoindoline-1,3-dione CAS Name: 2-[[2-(2,2-dimethylpropyl)-4-(2-methoxyethoxy)-1-oxo-3-isoquinolinyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[2-(2,2-dimethylpropyl)-4-(2-methoxyethoxy)-1-oxoisoquinolin-3-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[[1-keto-4-(2-methoxyethoxy)-2-neopentyl-3-isoquinolyl]methyl]isoindoline-1,3-quinone Formula: C26H28N2O5 MolecularWeight: 448.51092

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CN1C(=C(C2=CC=CC=C2C1=O)OCCOC)CN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC(C)(C)CN1C(=C(C2=CC=CC=C2C1=O)OCCOC)CN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C26H28N2O5/c1-26(2,3)16-28-21(15-27-23(29)19-11-7-8-12-20(19)24(27)30)22(33-14-13-32-4)17-9-5-6-10-18(17)25(28)31/h5-12H,13-16H2,1-4H3