2-[4-(4-tert-butylphenoxy)phenyl]-5-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione

Systemtic Name: 2-[4-(4-tert-butylphenoxy)phenyl]-5-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: 2-[4-(4-tert-butylphenoxy)phenyl]-5-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: 2-[4-(4-tert-butylphenoxy)phenyl]-5-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: 2-[4-(4-tert-butylphenoxy)phenyl]-5-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: 2-[4-(4-tert-butylphenoxy)phenyl]-5-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C25H27NO3 MolecularWeight: 389.48678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CCC2C(C1)C(=O)N(C2=O)C3=CC=C(C=C3)OC4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC1=CCC2C(C1)C(=O)N(C2=O)C3=CC=C(C=C3)OC4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C25H27NO3/c1-16-5-14-21-22(15-16)24(28)26(23(21)27)18-8-12-20(13-9-18)29-19-10-6-17(7-11-19)25(2,3)4/h5-13,21-22H,14-15H2,1-4H3