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

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

Isomeric SMILES

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

InChI

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