ethanedioic acid; 1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-(phenylmethyl)piperazine

Systemtic Name: ethanedioic acid; 1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-(phenylmethyl)piperazine Openeye Name: 1-benzyl-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazine; oxalic acid CAS Name: 1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-(phenylmethyl)piperazine; oxalic acid IUPAC Name: 1-benzyl-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazine; oxalic acid Traditional Name: 1-benzyl-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazine; oxalic acid Formula: C22H26N2O7 MolecularWeight: 430.45104

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCO2)CN3CCN(CC3)CC4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC(=CC2=C1OCO2)CN3CCN(CC3)CC4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H24N2O3.C2H2O4/c1-23-18-11-17(12-19-20(18)25-15-24-19)14-22-9-7-21(8-10-22)13-16-5-3-2-4-6-16;3-1(4)2(5)6/h2-6,11-12H,7-10,13-15H2,1H3;(H,3,4)(H,5,6)