1-[4-[(2S)-3-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanyl-propoxy]phenyl]ethanone

Systemtic Name: 1-[4-[(2S)-3-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanyl-propoxy]phenyl]ethanone Openeye Name: 1-[4-[(2S)-3-(1,3-benzodioxol-5-ylmethylamino)-2-hydroxy-propoxy]phenyl]ethanone CAS Name: 1-[4-[(2S)-3-(1,3-benzodioxol-5-ylmethylamino)-2-hydroxypropoxy]phenyl]ethanone IUPAC Name: 1-[4-[(2S)-3-(1,3-benzodioxol-5-ylmethylamino)-2-hydroxypropoxy]phenyl]ethanone Traditional Name: 1-[4-[(2S)-2-hydroxy-3-(piperonylamino)propoxy]phenyl]ethanone Formula: C19H21NO5 MolecularWeight: 343.37374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21NO5/c1-13(21)15-3-5-17(6-4-15)23-11-16(22)10-20-9-14-2-7-18-19(8-14)25-12-24-18/h2-8,16,20,22H,9-12H2,1H3/t16-/m0/s1