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

Systemtic Name: 1-[(5-bromanyl-2-methoxy-phenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine; ethanedioic acid Openeye Name: 1-[(5-bromo-2-methoxy-phenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine; oxalic acid CAS Name: 1-[(5-bromo-2-methoxyphenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine; oxalic acid IUPAC Name: 1-[(5-bromo-2-methoxyphenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine; oxalic acid Traditional Name: 1-(5-bromo-2-methoxy-benzyl)-4-o-anisyl-piperazine; oxalic acid Formula: C22H27BrN2O6 MolecularWeight: 495.36358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CN2CCN(CC2)CC3=CC=CC=C3OC.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CN2CCN(CC2)CC3=CC=CC=C3OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H25BrN2O2.C2H2O4/c1-24-19-6-4-3-5-16(19)14-22-9-11-23(12-10-22)15-17-13-18(21)7-8-20(17)25-2;3-1(4)2(5)6/h3-8,13H,9-12,14-15H2,1-2H3;(H,3,4)(H,5,6)