5,6-dimethyl-2-(4-phenoxyphenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione

Systemtic Name: 5,6-dimethyl-2-(4-phenoxyphenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: 5,6-dimethyl-2-(4-phenoxyphenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: 5,6-dimethyl-2-(4-phenoxyphenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: 5,6-dimethyl-2-(4-phenoxyphenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: 5,6-dimethyl-2-(4-phenoxyphenyl)-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(CC2C(C1)C(=O)N(C2=O)C3=CC=C(C=C3)OC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(CC2C(C1)C(=O)N(C2=O)C3=CC=C(C=C3)OC4=CC=CC=C4)C

InChI

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