(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-3-(4-bromanylphenoxy)propan-2-ol

Systemtic Name: (2S)-1-(1,3-benzodioxol-5-ylmethylamino)-3-(4-bromanylphenoxy)propan-2-ol Openeye Name: (2S)-1-(1,3-benzodioxol-5-ylmethylamino)-3-(4-bromophenoxy)propan-2-ol CAS Name: (2S)-1-(1,3-benzodioxol-5-ylmethylamino)-3-(4-bromophenoxy)-2-propanol IUPAC Name: (2S)-1-(1,3-benzodioxol-5-ylmethylamino)-3-(4-bromophenoxy)propan-2-ol Traditional Name: (2S)-1-(4-bromophenoxy)-3-(piperonylamino)propan-2-ol Formula: C17H18BrNO4 MolecularWeight: 380.23312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC[C@@H](COC3=CC=C(C=C3)Br)O

InChI

InChI=1S/C17H18BrNO4/c18-13-2-4-15(5-3-13)21-10-14(20)9-19-8-12-1-6-16-17(7-12)23-11-22-16/h1-7,14,19-20H,8-11H2/t14-/m0/s1