2-[2-[3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]propyl]phenyl]ethanenitrile

Systemtic Name: 2-[2-[3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]propyl]phenyl]ethanenitrile Openeye Name: 2-[2-[3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]propyl]phenyl]acetonitrile CAS Name: 2-[2-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propyl]phenyl]acetonitrile IUPAC Name: 2-[2-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propyl]phenyl]acetonitrile Traditional Name: 2-[2-[3-[homoveratryl(methyl)amino]propyl]phenyl]acetonitrile Formula: C22H28N2O2 MolecularWeight: 352.46992

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC1=CC=CC=C1CC#N)CCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CN(CCCC1=CC=CC=C1CC#N)CCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C22H28N2O2/c1-24(15-6-9-19-7-4-5-8-20(19)12-14-23)16-13-18-10-11-21(25-2)22(17-18)26-3/h4-5,7-8,10-11,17H,6,9,12-13,15-16H2,1-3H3