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

Systemtic Name: 2-[4-[3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]propoxy]phenyl]-3H-isoindol-1-one Openeye Name: 2-[4-[3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]propoxy]phenyl]isoindolin-1-one CAS Name: 2-[4-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propoxy]phenyl]-3H-isoindol-1-one IUPAC Name: 2-[4-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propoxy]phenyl]-3H-isoindol-1-one Traditional Name: 2-[4-[3-[homoveratryl(methyl)amino]propoxy]phenyl]isoindolin-1-one Formula: C28H32N2O4 MolecularWeight: 460.56468

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCOC1=CC=C(C=C1)N2CC3=CC=CC=C3C2=O)CCC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CN(CCCOC1=CC=C(C=C1)N2CC3=CC=CC=C3C2=O)CCC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C28H32N2O4/c1-29(17-15-21-9-14-26(32-2)27(19-21)33-3)16-6-18-34-24-12-10-23(11-13-24)30-20-22-7-4-5-8-25(22)28(30)31/h4-5,7-14,19H,6,15-18,20H2,1-3H3