1-[(3-bromophenyl)methyl]-4-[(3-phenoxyphenyl)methyl]piperazine; ethanedioic acid

Systemtic Name: 1-[(3-bromophenyl)methyl]-4-[(3-phenoxyphenyl)methyl]piperazine; ethanedioic acid Openeye Name: 1-[(3-bromophenyl)methyl]-4-[(3-phenoxyphenyl)methyl]piperazine; oxalic acid CAS Name: 1-[(3-bromophenyl)methyl]-4-[(3-phenoxyphenyl)methyl]piperazine; oxalic acid IUPAC Name: 1-[(3-bromophenyl)methyl]-4-[(3-phenoxyphenyl)methyl]piperazine; oxalic acid Traditional Name: 1-(3-bromobenzyl)-4-(3-phenoxybenzyl)piperazine; oxalic acid Formula: C26H27BrN2O5 MolecularWeight: 527.40698

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=CC=C2)OC3=CC=CC=C3)CC4=CC(=CC=C4)Br.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=CC(=CC=C2)OC3=CC=CC=C3)CC4=CC(=CC=C4)Br.C(=O)(C(=O)O)O

InChI

InChI=1S/C24H25BrN2O.C2H2O4/c25-22-8-4-6-20(16-22)18-26-12-14-27(15-13-26)19-21-7-5-11-24(17-21)28-23-9-2-1-3-10-23;3-1(4)2(5)6/h1-11,16-17H,12-15,18-19H2;(H,3,4)(H,5,6)