1-(1,3-benzodioxol-5-ylmethoxy)-3-[2-hydroxyethyl-(phenylmethyl)amino]propan-2-ol; ethanedioic acid

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethoxy)-3-[2-hydroxyethyl-(phenylmethyl)amino]propan-2-ol; ethanedioic acid Openeye Name: 1-(1,3-benzodioxol-5-ylmethoxy)-3-[benzyl(2-hydroxyethyl)amino]propan-2-ol; oxalic acid CAS Name: 1-(1,3-benzodioxol-5-ylmethoxy)-3-[2-hydroxyethyl-(phenylmethyl)amino]-2-propanol; oxalic acid IUPAC Name: 1-(1,3-benzodioxol-5-ylmethoxy)-3-[benzyl(2-hydroxyethyl)amino]propan-2-ol; oxalic acid Traditional Name: 1-[benzyl(2-hydroxyethyl)amino]-3-piperonyloxy-propan-2-ol; oxalic acid Formula: C22H27NO9 MolecularWeight: 449.45108

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)COCC(CN(CCO)CC3=CC=CC=C3)O.C(=O)(C(=O)O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)COCC(CN(CCO)CC3=CC=CC=C3)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H25NO5.C2H2O4/c22-9-8-21(11-16-4-2-1-3-5-16)12-18(23)14-24-13-17-6-7-19-20(10-17)26-15-25-19;3-1(4)2(5)6/h1-7,10,18,22-23H,8-9,11-15H2;(H,3,4)(H,5,6)