2-[(4-tert-butyl-2,6-dimethyl-phenyl)methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione

Systemtic Name: 2-[(4-tert-butyl-2,6-dimethyl-phenyl)methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: 2-[(4-tert-butyl-2,6-dimethyl-phenyl)methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: 2-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: 2-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: 2-(4-tert-butyl-2,6-dimethyl-benzyl)-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C21H27NO2 MolecularWeight: 325.44458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CN2C(=O)C3CC=CCC3C2=O)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1CN2C(=O)C3CC=CCC3C2=O)C)C(C)(C)C

InChI

InChI=1S/C21H27NO2/c1-13-10-15(21(3,4)5)11-14(2)18(13)12-22-19(23)16-8-6-7-9-17(16)20(22)24/h6-7,10-11,16-17H,8-9,12H2,1-5H3