2-[4-(4-tert-butylphenoxy)phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione

Systemtic Name: 2-[4-(4-tert-butylphenoxy)phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: 2-[4-(4-tert-butylphenoxy)phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: 2-[4-(4-tert-butylphenoxy)phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: 2-[4-(4-tert-butylphenoxy)phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: 2-[4-(4-tert-butylphenoxy)phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C24H25NO3 MolecularWeight: 375.4602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OC2=CC=C(C=C2)N3C(=O)C4CC=CCC4C3=O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OC2=CC=C(C=C2)N3C(=O)C4CC=CCC4C3=O

InChI

InChI=1S/C24H25NO3/c1-24(2,3)16-8-12-18(13-9-16)28-19-14-10-17(11-15-19)25-22(26)20-6-4-5-7-21(20)23(25)27/h4-5,8-15,20-21H,6-7H2,1-3H3