(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-3-(2,3,6-trimethylphenoxy)propan-2-ol

Systemtic Name: (2S)-1-(1,3-benzodioxol-5-ylmethylamino)-3-(2,3,6-trimethylphenoxy)propan-2-ol Openeye Name: (2S)-1-(1,3-benzodioxol-5-ylmethylamino)-3-(2,3,6-trimethylphenoxy)propan-2-ol CAS Name: (2S)-1-(1,3-benzodioxol-5-ylmethylamino)-3-(2,3,6-trimethylphenoxy)-2-propanol IUPAC Name: (2S)-1-(1,3-benzodioxol-5-ylmethylamino)-3-(2,3,6-trimethylphenoxy)propan-2-ol Traditional Name: (2S)-1-(piperonylamino)-3-(2,3,6-trimethylphenoxy)propan-2-ol Formula: C20H25NO4 MolecularWeight: 343.4168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C)OCC(CNCC2=CC3=C(C=C2)OCO3)O)C

Isomeric SMILES

CC1=C(C(=C(C=C1)C)OC[C@H](CNCC2=CC3=C(C=C2)OCO3)O)C

InChI

InChI=1S/C20H25NO4/c1-13-4-5-14(2)20(15(13)3)23-11-17(22)10-21-9-16-6-7-18-19(8-16)25-12-24-18/h4-8,17,21-22H,9-12H2,1-3H3/t17-/m0/s1