2-[4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]propoxy]phenyl]-5,6-dimethoxy-3H-isoindol-1-one

Systemtic Name: 2-[4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]propoxy]phenyl]-5,6-dimethoxy-3H-isoindol-1-one Openeye Name: 2-[4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]propoxy]phenyl]-5,6-dimethoxy-isoindolin-1-one CAS Name: 2-[4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]propoxy]phenyl]-5,6-dimethoxy-3H-isoindol-1-one IUPAC Name: 2-[4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]propoxy]phenyl]-5,6-dimethoxy-3H-isoindol-1-one Traditional Name: 2-[4-[3-(homoveratrylamino)propoxy]phenyl]-5,6-dimethoxy-isoindolin-1-one Formula: C29H34N2O6 MolecularWeight: 506.59006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNCCCOC2=CC=C(C=C2)N3CC4=CC(=C(C=C4C3=O)OC)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNCCCOC2=CC=C(C=C2)N3CC4=CC(=C(C=C4C3=O)OC)OC)OC

InChI

InChI=1S/C29H34N2O6/c1-33-25-11-6-20(16-26(25)34-2)12-14-30-13-5-15-37-23-9-7-22(8-10-23)31-19-21-17-27(35-3)28(36-4)18-24(21)29(31)32/h6-11,16-18,30H,5,12-15,19H2,1-4H3