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

Systemtic Name: 2-(4-hexoxyphenyl)-5,6-dimethyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: 2-(4-hexoxyphenyl)-5,6-dimethyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: 2-(4-hexoxyphenyl)-5,6-dimethyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: 2-(4-hexoxyphenyl)-5,6-dimethyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: 2-(4-hexoxyphenyl)-5,6-dimethyl-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C22H29NO3 MolecularWeight: 355.47056

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)N2C(=O)C3CC(=C(CC3C2=O)C)C

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)N2C(=O)C3CC(=C(CC3C2=O)C)C

InChI

InChI=1S/C22H29NO3/c1-4-5-6-7-12-26-18-10-8-17(9-11-18)23-21(24)19-13-15(2)16(3)14-20(19)22(23)25/h8-11,19-20H,4-7,12-14H2,1-3H3