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

Systemtic Name: 2-[[4-(4-methylphenyl)-2-(2-methylpropyl)-1-oxidanylidene-6-phenylmethoxy-isoquinolin-3-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[6-benzyloxy-2-isobutyl-1-oxo-4-(p-tolyl)-3-isoquinolyl]methyl]isoindoline-1,3-dione CAS Name: 2-[[4-(4-methylphenyl)-2-(2-methylpropyl)-1-oxo-6-phenylmethoxy-3-isoquinolinyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[4-(4-methylphenyl)-2-(2-methylpropyl)-1-oxo-6-phenylmethoxyisoquinolin-3-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[[6-benzoxy-2-isobutyl-1-keto-4-(p-tolyl)-3-isoquinolyl]methyl]isoindoline-1,3-quinone Formula: C36H32N2O4 MolecularWeight: 556.65028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(N(C(=O)C3=C2C=C(C=C3)OCC4=CC=CC=C4)CC(C)C)CN5C(=O)C6=CC=CC=C6C5=O

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(N(C(=O)C3=C2C=C(C=C3)OCC4=CC=CC=C4)CC(C)C)CN5C(=O)C6=CC=CC=C6C5=O

InChI

InChI=1S/C36H32N2O4/c1-23(2)20-37-32(21-38-35(40)28-11-7-8-12-29(28)36(38)41)33(26-15-13-24(3)14-16-26)31-19-27(17-18-30(31)34(37)39)42-22-25-9-5-4-6-10-25/h4-19,23H,20-22H2,1-3H3