2-azanyl-1-(1,3-benzodioxol-5-yl)pentane-1,5-diol

Systemtic Name: 2-azanyl-1-(1,3-benzodioxol-5-yl)pentane-1,5-diol Openeye Name: 2-amino-1-(1,3-benzodioxol-5-yl)pentane-1,5-diol CAS Name: 2-amino-1-(1,3-benzodioxol-5-yl)pentane-1,5-diol IUPAC Name: 2-amino-1-(1,3-benzodioxol-5-yl)pentane-1,5-diol Traditional Name: 2-amino-1-(1,3-benzodioxol-5-yl)pentane-1,5-diol Formula: C12H17NO4 MolecularWeight: 239.26768

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(C(CCCO)N)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(C(CCCO)N)O

InChI

InChI=1S/C12H17NO4/c13-9(2-1-5-14)12(15)8-3-4-10-11(6-8)17-7-16-10/h3-4,6,9,12,14-15H,1-2,5,7,13H2