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

Systemtic Name: 2-[4-(3,5-dimethylphenoxy)phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: 2-[4-(3,5-dimethylphenoxy)phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: 2-[4-(3,5-dimethylphenoxy)phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: 2-[4-(3,5-dimethylphenoxy)phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: 2-[4-(3,5-dimethylphenoxy)phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C22H21NO3 MolecularWeight: 347.40704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=CC=C(C=C2)N3C(=O)C4CC=CCC4C3=O)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=CC=C(C=C2)N3C(=O)C4CC=CCC4C3=O)C

InChI

InChI=1S/C22H21NO3/c1-14-11-15(2)13-18(12-14)26-17-9-7-16(8-10-17)23-21(24)19-5-3-4-6-20(19)22(23)25/h3-4,7-13,19-20H,5-6H2,1-2H3