4-[3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-2-oxidanyl-propoxy]benzenecarbonitrile

Systemtic Name: 4-[3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-2-oxidanyl-propoxy]benzenecarbonitrile Openeye Name: 4-[3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-2-hydroxy-propoxy]benzonitrile CAS Name: 4-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-hydroxypropoxy]benzonitrile IUPAC Name: 4-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-hydroxypropoxy]benzonitrile Traditional Name: 4-[3-[homoveratryl(methyl)amino]-2-hydroxy-propoxy]benzonitrile Formula: C21H26N2O4 MolecularWeight: 370.44214

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC(=C(C=C1)OC)OC)CC(COC2=CC=C(C=C2)C#N)O

Isomeric SMILES

CN(CCC1=CC(=C(C=C1)OC)OC)CC(COC2=CC=C(C=C2)C#N)O

InChI

InChI=1S/C21H26N2O4/c1-23(11-10-16-6-9-20(25-2)21(12-16)26-3)14-18(24)15-27-19-7-4-17(13-22)5-8-19/h4-9,12,18,24H,10-11,14-15H2,1-3H3