2-[4-[3-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-2-oxidanyl-propoxy]phenyl]ethanenitrile

Systemtic Name: 2-[4-[3-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-2-oxidanyl-propoxy]phenyl]ethanenitrile Openeye Name: 2-[4-[3-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-2-hydroxy-propoxy]phenyl]acetonitrile CAS Name: 2-[4-[3-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-2-hydroxypropoxy]phenyl]acetonitrile IUPAC Name: 2-[4-[3-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-2-hydroxypropoxy]phenyl]acetonitrile Traditional Name: 2-[4-[3-[ethyl(piperonyl)amino]-2-hydroxy-propoxy]phenyl]acetonitrile Formula: C21H24N2O4 MolecularWeight: 368.42626

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC2=C(C=C1)OCO2)CC(COC3=CC=C(C=C3)CC#N)O

Isomeric SMILES

CCN(CC1=CC2=C(C=C1)OCO2)CC(COC3=CC=C(C=C3)CC#N)O

InChI

InChI=1S/C21H24N2O4/c1-2-23(12-17-5-8-20-21(11-17)27-15-26-20)13-18(24)14-25-19-6-3-16(4-7-19)9-10-22/h3-8,11,18,24H,2,9,12-15H2,1H3