1-[(4-bromophenyl)methyl]-4-[(4-methoxy-3-phenylmethoxy-phenyl)methyl]piperazine; ethanedioic acid

Systemtic Name: 1-[(4-bromophenyl)methyl]-4-[(4-methoxy-3-phenylmethoxy-phenyl)methyl]piperazine; ethanedioic acid Openeye Name: 1-[(3-benzyloxy-4-methoxy-phenyl)methyl]-4-[(4-bromophenyl)methyl]piperazine; oxalic acid CAS Name: 1-[(4-bromophenyl)methyl]-4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperazine; oxalic acid IUPAC Name: 1-[(4-bromophenyl)methyl]-4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperazine; oxalic acid Traditional Name: 1-(3-benzoxy-4-methoxy-benzyl)-4-(4-bromobenzyl)piperazine; oxalic acid Formula: C28H31BrN2O6 MolecularWeight: 571.45954

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCN(CC2)CC3=CC=C(C=C3)Br)OCC4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCN(CC2)CC3=CC=C(C=C3)Br)OCC4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C26H29BrN2O2.C2H2O4/c1-30-25-12-9-23(17-26(25)31-20-22-5-3-2-4-6-22)19-29-15-13-28(14-16-29)18-21-7-10-24(27)11-8-21;3-1(4)2(5)6/h2-12,17H,13-16,18-20H2,1H3;(H,3,4)(H,5,6)