1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-(phenylmethyl)piperazine; ethanedioic acid

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-(phenylmethyl)piperazine; ethanedioic acid Openeye Name: 1-benzyl-4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperazine; oxalic acid CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-(phenylmethyl)piperazine; oxalic acid IUPAC Name: 1-benzyl-4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperazine; oxalic acid Traditional Name: 1-benzyl-4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperazine; oxalic acid Formula: C24H28N2O10 MolecularWeight: 504.48652

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2COC3=CC=CC=C3O2)CC4=CC=CC=C4.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2COC3=CC=CC=C3O2)CC4=CC=CC=C4.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H24N2O2.2C2H2O4/c1-2-6-17(7-3-1)14-21-10-12-22(13-11-21)15-18-16-23-19-8-4-5-9-20(19)24-18;2*3-1(4)2(5)6/h1-9,18H,10-16H2;2*(H,3,4)(H,5,6)