1-[(5-bromanyl-2-methoxy-phenyl)methyl]-4-[(2,4-dimethoxyphenyl)methyl]piperazine; ethanedioic acid

Systemtic Name: 1-[(5-bromanyl-2-methoxy-phenyl)methyl]-4-[(2,4-dimethoxyphenyl)methyl]piperazine; ethanedioic acid Openeye Name: 1-[(5-bromo-2-methoxy-phenyl)methyl]-4-[(2,4-dimethoxyphenyl)methyl]piperazine; oxalic acid CAS Name: 1-[(5-bromo-2-methoxyphenyl)methyl]-4-[(2,4-dimethoxyphenyl)methyl]piperazine; oxalic acid IUPAC Name: 1-[(5-bromo-2-methoxyphenyl)methyl]-4-[(2,4-dimethoxyphenyl)methyl]piperazine; oxalic acid Traditional Name: 1-(5-bromo-2-methoxy-benzyl)-4-(2,4-dimethoxybenzyl)piperazine; oxalic acid Formula: C23H29BrN2O7 MolecularWeight: 525.38956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27BrN2O3.C2H2O4/c1-25-19-6-4-16(21(13-19)27-3)14-23-8-10-24(11-9-23)15-17-12-18(22)5-7-20(17)26-2;3-1(4)2(5)6/h4-7,12-13H,8-11,14-15H2,1-3H3;(H,3,4)(H,5,6)