2-(1,3-benzodioxol-5-ylmethylamino)-2-methyl-propane-1,3-diol

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethylamino)-2-methyl-propane-1,3-diol Openeye Name: 2-(1,3-benzodioxol-5-ylmethylamino)-2-methyl-propane-1,3-diol CAS Name: 2-(1,3-benzodioxol-5-ylmethylamino)-2-methylpropane-1,3-diol IUPAC Name: 2-(1,3-benzodioxol-5-ylmethylamino)-2-methylpropane-1,3-diol Traditional Name: 2-methyl-2-(piperonylamino)propane-1,3-diol Formula: C12H17NO4 MolecularWeight: 239.26768

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)(CO)NCC1=CC2=C(C=C1)OCO2

Isomeric SMILES

CC(CO)(CO)NCC1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C12H17NO4/c1-12(6-14,7-15)13-5-9-2-3-10-11(4-9)17-8-16-10/h2-4,13-15H,5-8H2,1H3