3-[3-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanyl-propoxy]benzenecarbonitrile

Systemtic Name: 3-[3-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanyl-propoxy]benzenecarbonitrile Openeye Name: 3-[3-(1,3-benzodioxol-5-ylmethylamino)-2-hydroxy-propoxy]benzonitrile CAS Name: 3-[3-(1,3-benzodioxol-5-ylmethylamino)-2-hydroxypropoxy]benzonitrile IUPAC Name: 3-[3-(1,3-benzodioxol-5-ylmethylamino)-2-hydroxypropoxy]benzonitrile Traditional Name: 3-[2-hydroxy-3-(piperonylamino)propoxy]benzonitrile Formula: C18H18N2O4 MolecularWeight: 326.34652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNCC(COC3=CC=CC(=C3)C#N)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNCC(COC3=CC=CC(=C3)C#N)O

InChI

InChI=1S/C18H18N2O4/c19-8-13-2-1-3-16(6-13)22-11-15(21)10-20-9-14-4-5-17-18(7-14)24-12-23-17/h1-7,15,20-21H,9-12H2