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

Systemtic Name: ethanedioic acid; 1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine Openeye Name: 1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine; oxalic acid CAS Name: 1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine; oxalic acid IUPAC Name: 1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine; oxalic acid Traditional Name: 1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-p-anisyl-piperazine; oxalic acid Formula: C23H28N2O8 MolecularWeight: 460.47702

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2CCN(CC2)CC3=CC4=C(C(=C3)OC)OCO4.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=C(C=C1)CN2CCN(CC2)CC3=CC4=C(C(=C3)OC)OCO4.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H26N2O4.C2H2O4/c1-24-18-5-3-16(4-6-18)13-22-7-9-23(10-8-22)14-17-11-19(25-2)21-20(12-17)26-15-27-21;3-1(4)2(5)6/h3-6,11-12H,7-10,13-15H2,1-2H3;(H,3,4)(H,5,6)