1-[(2-bromophenyl)methyl]-4-[(3-ethoxy-4-methoxy-phenyl)methyl]piperazine; ethanedioic acid

Systemtic Name: 1-[(2-bromophenyl)methyl]-4-[(3-ethoxy-4-methoxy-phenyl)methyl]piperazine; ethanedioic acid Openeye Name: 1-[(2-bromophenyl)methyl]-4-[(3-ethoxy-4-methoxy-phenyl)methyl]piperazine; oxalic acid CAS Name: 1-[(2-bromophenyl)methyl]-4-[(3-ethoxy-4-methoxyphenyl)methyl]piperazine; oxalic acid IUPAC Name: 1-[(2-bromophenyl)methyl]-4-[(3-ethoxy-4-methoxyphenyl)methyl]piperazine; oxalic acid Traditional Name: 1-(2-bromobenzyl)-4-(3-ethoxy-4-methoxy-benzyl)piperazine; oxalic acid Formula: C23H29BrN2O6 MolecularWeight: 509.39016

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CN2CCN(CC2)CC3=CC=CC=C3Br)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)CN2CCN(CC2)CC3=CC=CC=C3Br)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H27BrN2O2.C2H2O4/c1-3-26-21-14-17(8-9-20(21)25-2)15-23-10-12-24(13-11-23)16-18-6-4-5-7-19(18)22;3-1(4)2(5)6/h4-9,14H,3,10-13,15-16H2,1-2H3;(H,3,4)(H,5,6)