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

Systemtic Name: 2-[4-(2,5-dimethylphenoxy)phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: 2-[4-(2,5-dimethylphenoxy)phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: 2-[4-(2,5-dimethylphenoxy)phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: 2-[4-(2,5-dimethylphenoxy)phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: 2-[4-(2,5-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(=C(C=C1)C)OC2=CC=C(C=C2)N3C(=O)C4CC=CCC4C3=O

Isomeric SMILES

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

InChI

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