2-[[4-butoxy-2-(2,2-dimethylpropyl)-5,6-dimethoxy-1-oxidanylidene-isoquinolin-3-yl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[4-butoxy-2-(2,2-dimethylpropyl)-5,6-dimethoxy-1-oxidanylidene-isoquinolin-3-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[4-butoxy-2-(2,2-dimethylpropyl)-5,6-dimethoxy-1-oxo-3-isoquinolyl]methyl]isoindoline-1,3-dione CAS Name: 2-[[4-butoxy-2-(2,2-dimethylpropyl)-5,6-dimethoxy-1-oxo-3-isoquinolinyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[4-butoxy-2-(2,2-dimethylpropyl)-5,6-dimethoxy-1-oxoisoquinolin-3-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[(4-butoxy-1-keto-5,6-dimethoxy-2-neopentyl-3-isoquinolyl)methyl]isoindoline-1,3-quinone Formula: C29H34N2O6 MolecularWeight: 506.59006

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(N(C(=O)C2=C1C(=C(C=C2)OC)OC)CC(C)(C)C)CN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CCCCOC1=C(N(C(=O)C2=C1C(=C(C=C2)OC)OC)CC(C)(C)C)CN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C29H34N2O6/c1-7-8-15-37-24-21(16-30-26(32)18-11-9-10-12-19(18)27(30)33)31(17-29(2,3)4)28(34)20-13-14-22(35-5)25(36-6)23(20)24/h9-14H,7-8,15-17H2,1-6H3