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

Systemtic Name: 2-[[4-butoxy-2-(2-methylpropyl)-1-oxidanylidene-6-phenylmethoxy-isoquinolin-3-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[(6-benzyloxy-4-butoxy-2-isobutyl-1-oxo-3-isoquinolyl)methyl]isoindoline-1,3-dione CAS Name: 2-[[4-butoxy-2-(2-methylpropyl)-1-oxo-6-phenylmethoxy-3-isoquinolinyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[4-butoxy-2-(2-methylpropyl)-1-oxo-6-phenylmethoxyisoquinolin-3-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[(6-benzoxy-4-butoxy-2-isobutyl-1-keto-3-isoquinolyl)methyl]isoindoline-1,3-quinone Formula: C33H34N2O5 MolecularWeight: 538.63346

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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)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)CN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C33H34N2O5/c1-4-5-17-39-30-28-18-24(40-21-23-11-7-6-8-12-23)15-16-27(28)31(36)34(19-22(2)3)29(30)20-35-32(37)25-13-9-10-14-26(25)33(35)38/h6-16,18,22H,4-5,17,19-21H2,1-3H3