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

Systemtic Name: 2-[2-[3-(4-methylphenyl)-1-adamantyl]-2-oxidanylidene-ethyl]isoindole-1,3-dione Openeye Name: 2-[2-oxo-2-[3-(p-tolyl)-1-adamantyl]ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[3-(4-methylphenyl)-1-adamantyl]-2-oxoethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[3-(4-methylphenyl)-1-adamantyl]-2-oxoethyl]isoindole-1,3-dione Traditional Name: 2-[2-keto-2-[3-(p-tolyl)-1-adamantyl]ethyl]isoindoline-1,3-quinone Formula: C27H27NO3 MolecularWeight: 413.50818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27NO3/c1-17-6-8-20(9-7-17)26-11-18-10-19(12-26)14-27(13-18,16-26)23(29)15-28-24(30)21-4-2-3-5-22(21)25(28)31/h2-9,18-19H,10-16H2,1H3