1-(1,3-benzodioxol-5-ylmethoxy)-3-(2-diethylaminoethylamino)propan-2-ol; ethanedioic acid

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethoxy)-3-(2-diethylaminoethylamino)propan-2-ol; ethanedioic acid Openeye Name: 1-(1,3-benzodioxol-5-ylmethoxy)-3-(2-diethylaminoethylamino)propan-2-ol; oxalic acid CAS Name: 1-(1,3-benzodioxol-5-ylmethoxy)-3-(2-diethylaminoethylamino)-2-propanol; oxalic acid IUPAC Name: 1-(1,3-benzodioxol-5-ylmethoxy)-3-(2-diethylaminoethylamino)propan-2-ol; oxalic acid Traditional Name: 1-(2-diethylaminoethylamino)-3-piperonyloxy-propan-2-ol; oxalic acid Formula: C21H32N2O12 MolecularWeight: 504.48498

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNCC(COCC1=CC2=C(C=C1)OCO2)O.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

CCN(CC)CCNCC(COCC1=CC2=C(C=C1)OCO2)O.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H28N2O4.2C2H2O4/c1-3-19(4-2)8-7-18-10-15(20)12-21-11-14-5-6-16-17(9-14)23-13-22-16;2*3-1(4)2(5)6/h5-6,9,15,18,20H,3-4,7-8,10-13H2,1-2H3;2*(H,3,4)(H,5,6)