5-[2-(1,3-benzodioxol-5-yl)ethyl-methyl-amino]-2-(3,5-dimethoxyphenyl)-2-propan-2-yl-pentanenitrile

Systemtic Name: 5-[2-(1,3-benzodioxol-5-yl)ethyl-methyl-amino]-2-(3,5-dimethoxyphenyl)-2-propan-2-yl-pentanenitrile Openeye Name: 5-[2-(1,3-benzodioxol-5-yl)ethyl-methyl-amino]-2-(3,5-dimethoxyphenyl)-2-isopropyl-pentanenitrile CAS Name: 5-[2-(1,3-benzodioxol-5-yl)ethyl-methylamino]-2-(3,5-dimethoxyphenyl)-2-propan-2-ylpentanenitrile IUPAC Name: 5-[2-(1,3-benzodioxol-5-yl)ethyl-methylamino]-2-(3,5-dimethoxyphenyl)-2-propan-2-ylpentanenitrile Traditional Name: 2-(3,5-dimethoxyphenyl)-5-[homopiperonyl(methyl)amino]-2-isopropyl-valeronitrile Formula: C26H34N2O4 MolecularWeight: 438.55916

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCN(C)CCC1=CC2=C(C=C1)OCO2)(C#N)C3=CC(=CC(=C3)OC)OC

Isomeric SMILES

CC(C)C(CCCN(C)CCC1=CC2=C(C=C1)OCO2)(C#N)C3=CC(=CC(=C3)OC)OC

InChI

InChI=1S/C26H34N2O4/c1-19(2)26(17-27,21-14-22(29-4)16-23(15-21)30-5)10-6-11-28(3)12-9-20-7-8-24-25(13-20)32-18-31-24/h7-8,13-16,19H,6,9-12,18H2,1-5H3