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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethoxy)-3-(3-imidazol-1-ylpropylamino)propan-2-ol; ethanedioic acid Openeye Name: 1-(1,3-benzodioxol-5-ylmethoxy)-3-(3-imidazol-1-ylpropylamino)propan-2-ol; oxalic acid CAS Name: 1-(1,3-benzodioxol-5-ylmethoxy)-3-[3-(1-imidazolyl)propylamino]-2-propanol; oxalic acid IUPAC Name: 1-(1,3-benzodioxol-5-ylmethoxy)-3-(3-imidazol-1-ylpropylamino)propan-2-ol; oxalic acid Traditional Name: 1-(3-imidazol-1-ylpropylamino)-3-piperonyloxy-propan-2-ol; oxalic acid Formula: C19H25N3O8 MolecularWeight: 423.4171

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)COCC(CNCCCN3C=CN=C3)O.C(=O)(C(=O)O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)COCC(CNCCCN3C=CN=C3)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H23N3O4.C2H2O4/c21-15(9-18-4-1-6-20-7-5-19-12-20)11-22-10-14-2-3-16-17(8-14)24-13-23-16;3-1(4)2(5)6/h2-3,5,7-8,12,15,18,21H,1,4,6,9-11,13H2;(H,3,4)(H,5,6)