5-methyl-2-(4-phenylmethoxyphenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione

Systemtic Name: 5-methyl-2-(4-phenylmethoxyphenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: 2-(4-benzyloxyphenyl)-5-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: 5-methyl-2-(4-phenylmethoxyphenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: 5-methyl-2-(4-phenylmethoxyphenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: 2-(4-benzoxyphenyl)-5-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C22H21NO3 MolecularWeight: 347.40704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CCC2C(C1)C(=O)N(C2=O)C3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

CC1=CCC2C(C1)C(=O)N(C2=O)C3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C22H21NO3/c1-15-7-12-19-20(13-15)22(25)23(21(19)24)17-8-10-18(11-9-17)26-14-16-5-3-2-4-6-16/h2-11,19-20H,12-14H2,1H3