1-(1,3-benzodioxol-5-ylmethylamino)-3-(2,3,6-trimethylphenoxy)propan-2-ol; ethanedioic acid

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethylamino)-3-(2,3,6-trimethylphenoxy)propan-2-ol; ethanedioic acid Openeye Name: 1-(1,3-benzodioxol-5-ylmethylamino)-3-(2,3,6-trimethylphenoxy)propan-2-ol; oxalic acid CAS Name: 1-(1,3-benzodioxol-5-ylmethylamino)-3-(2,3,6-trimethylphenoxy)-2-propanol; oxalic acid IUPAC Name: 1-(1,3-benzodioxol-5-ylmethylamino)-3-(2,3,6-trimethylphenoxy)propan-2-ol; oxalic acid Traditional Name: oxalic acid; 1-(piperonylamino)-3-(2,3,6-trimethylphenoxy)propan-2-ol Formula: C22H27NO8 MolecularWeight: 433.45168

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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.C(=O)(C(=O)O)O

Isomeric SMILES

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

InChI

InChI=1S/C20H25NO4.C2H2O4/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;3-1(4)2(5)6/h4-8,17,21-22H,9-12H2,1-3H3;(H,3,4)(H,5,6)