2-[[3-(4-methylphenyl)-1-adamantyl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[3-(4-methylphenyl)-1-adamantyl]methyl]isoindole-1,3-dione Openeye Name: 2-[[3-(p-tolyl)-1-adamantyl]methyl]isoindoline-1,3-dione CAS Name: 2-[[3-(4-methylphenyl)-1-adamantyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[3-(4-methylphenyl)-1-adamantyl]methyl]isoindole-1,3-dione Traditional Name: 2-[[3-(p-tolyl)-1-adamantyl]methyl]isoindoline-1,3-quinone Formula: C26H27NO2 MolecularWeight: 385.49808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)CN5C(=O)C6=CC=CC=C6C5=O

Isomeric SMILES

CC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)CN5C(=O)C6=CC=CC=C6C5=O

InChI

InChI=1S/C26H27NO2/c1-17-6-8-20(9-7-17)26-13-18-10-19(14-26)12-25(11-18,15-26)16-27-23(28)21-4-2-3-5-22(21)24(27)29/h2-9,18-19H,10-16H2,1H3