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

Systemtic Name: 2-[[4-butoxy-2-(2,2-dimethylpropyl)-6-ethoxy-1-oxidanylidene-isoquinolin-3-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[4-butoxy-2-(2,2-dimethylpropyl)-6-ethoxy-1-oxo-3-isoquinolyl]methyl]isoindoline-1,3-dione CAS Name: 2-[[4-butoxy-2-(2,2-dimethylpropyl)-6-ethoxy-1-oxo-3-isoquinolinyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[4-butoxy-2-(2,2-dimethylpropyl)-6-ethoxy-1-oxoisoquinolin-3-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[(4-butoxy-6-ethoxy-1-keto-2-neopentyl-3-isoquinolyl)methyl]isoindoline-1,3-quinone Formula: C29H34N2O5 MolecularWeight: 490.59066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H34N2O5/c1-6-8-15-36-25-23-16-19(35-7-2)13-14-22(23)28(34)31(18-29(3,4)5)24(25)17-30-26(32)20-11-9-10-12-21(20)27(30)33/h9-14,16H,6-8,15,17-18H2,1-5H3