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

Systemtic Name: 2-[4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]propoxy]phenyl]-3H-isoindol-1-one Openeye Name: 2-[4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]propoxy]phenyl]isoindolin-1-one CAS Name: 2-[4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]propoxy]phenyl]-3H-isoindol-1-one IUPAC Name: 2-[4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]propoxy]phenyl]-3H-isoindol-1-one Traditional Name: 2-[4-[3-(homoveratrylamino)propoxy]phenyl]isoindolin-1-one Formula: C27H30N2O4 MolecularWeight: 446.5381

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30N2O4/c1-31-25-13-8-20(18-26(25)32-2)14-16-28-15-5-17-33-23-11-9-22(10-12-23)29-19-21-6-3-4-7-24(21)27(29)30/h3-4,6-13,18,28H,5,14-17,19H2,1-2H3