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

Systemtic Name: 2-[[4-butoxy-2-(2,2-dimethylpropyl)-1-oxidanylidene-6-phenylmethoxy-isoquinolin-3-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[6-benzyloxy-4-butoxy-2-(2,2-dimethylpropyl)-1-oxo-3-isoquinolyl]methyl]isoindoline-1,3-dione CAS Name: 2-[[4-butoxy-2-(2,2-dimethylpropyl)-1-oxo-6-phenylmethoxy-3-isoquinolinyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[4-butoxy-2-(2,2-dimethylpropyl)-1-oxo-6-phenylmethoxyisoquinolin-3-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[(6-benzoxy-4-butoxy-1-keto-2-neopentyl-3-isoquinolyl)methyl]isoindoline-1,3-quinone Formula: C34H36N2O5 MolecularWeight: 552.66004

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)OCC3=CC=CC=C3)CC(C)(C)C)CN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)OCC3=CC=CC=C3)CC(C)(C)C)CN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C34H36N2O5/c1-5-6-18-40-30-28-19-24(41-21-23-12-8-7-9-13-23)16-17-27(28)33(39)36(22-34(2,3)4)29(30)20-35-31(37)25-14-10-11-15-26(25)32(35)38/h7-17,19H,5-6,18,20-22H2,1-4H3