1-[3-[4-[(1,3-benzodioxol-5-ylmethylamino)methyl]-2-methoxy-phenoxy]-2-oxidanyl-propyl]piperidin-4-ol

Systemtic Name: 1-[3-[4-[(1,3-benzodioxol-5-ylmethylamino)methyl]-2-methoxy-phenoxy]-2-oxidanyl-propyl]piperidin-4-ol Openeye Name: 1-[3-[4-[(1,3-benzodioxol-5-ylmethylamino)methyl]-2-methoxy-phenoxy]-2-hydroxy-propyl]piperidin-4-ol CAS Name: 1-[3-[4-[(1,3-benzodioxol-5-ylmethylamino)methyl]-2-methoxyphenoxy]-2-hydroxypropyl]-4-piperidinol IUPAC Name: 1-[3-[4-[(1,3-benzodioxol-5-ylmethylamino)methyl]-2-methoxyphenoxy]-2-hydroxypropyl]piperidin-4-ol Traditional Name: 1-[2-hydroxy-3-[2-methoxy-4-[(piperonylamino)methyl]phenoxy]propyl]piperidin-4-ol Formula: C24H32N2O6 MolecularWeight: 444.52068

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CNCC2=CC3=C(C=C2)OCO3)OCC(CN4CCC(CC4)O)O

Isomeric SMILES

COC1=C(C=CC(=C1)CNCC2=CC3=C(C=C2)OCO3)OCC(CN4CCC(CC4)O)O

InChI

InChI=1S/C24H32N2O6/c1-29-23-10-17(12-25-13-18-3-5-22-24(11-18)32-16-31-22)2-4-21(23)30-15-20(28)14-26-8-6-19(27)7-9-26/h2-5,10-11,19-20,25,27-28H,6-9,12-16H2,1H3