2-[4-[4-[2-(1,3-benzodioxol-5-yl)ethyl-methyl-amino]butoxy]-3-methoxy-phenyl]ethanenitrile

Systemtic Name: 2-[4-[4-[2-(1,3-benzodioxol-5-yl)ethyl-methyl-amino]butoxy]-3-methoxy-phenyl]ethanenitrile Openeye Name: 2-[4-[4-[2-(1,3-benzodioxol-5-yl)ethyl-methyl-amino]butoxy]-3-methoxy-phenyl]acetonitrile CAS Name: 2-[4-[4-[2-(1,3-benzodioxol-5-yl)ethyl-methylamino]butoxy]-3-methoxyphenyl]acetonitrile IUPAC Name: 2-[4-[4-[2-(1,3-benzodioxol-5-yl)ethyl-methylamino]butoxy]-3-methoxyphenyl]acetonitrile Traditional Name: 2-[4-[4-[homopiperonyl(methyl)amino]butoxy]-3-methoxy-phenyl]acetonitrile Formula: C23H28N2O4 MolecularWeight: 396.47942

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCCOC1=C(C=C(C=C1)CC#N)OC)CCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CN(CCCCOC1=C(C=C(C=C1)CC#N)OC)CCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C23H28N2O4/c1-25(13-10-19-6-8-21-23(16-19)29-17-28-21)12-3-4-14-27-20-7-5-18(9-11-24)15-22(20)26-2/h5-8,15-16H,3-4,9-10,12-14,17H2,1-2H3