5-[[3-(1,3-benzodioxol-5-yloxy)-3-phenyl-propyl]-methyl-amino]pentanenitrile

Systemtic Name: 5-[[3-(1,3-benzodioxol-5-yloxy)-3-phenyl-propyl]-methyl-amino]pentanenitrile Openeye Name: 5-[[3-(1,3-benzodioxol-5-yloxy)-3-phenyl-propyl]-methyl-amino]pentanenitrile CAS Name: 5-[[3-(1,3-benzodioxol-5-yloxy)-3-phenylpropyl]-methylamino]pentanenitrile IUPAC Name: 5-[[3-(1,3-benzodioxol-5-yloxy)-3-phenylpropyl]-methylamino]pentanenitrile Traditional Name: 5-[[3-(1,3-benzodioxol-5-yloxy)-3-phenyl-propyl]-methyl-amino]valeronitrile Formula: C22H26N2O3 MolecularWeight: 366.45344

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCCC#N)CCC(C1=CC=CC=C1)OC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CN(CCCCC#N)CCC(C1=CC=CC=C1)OC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C22H26N2O3/c1-24(14-7-3-6-13-23)15-12-20(18-8-4-2-5-9-18)27-19-10-11-21-22(16-19)26-17-25-21/h2,4-5,8-11,16,20H,3,6-7,12,14-15,17H2,1H3