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

Systemtic Name: 1-[(3,4-dimethoxyphenyl)methyl]-4-[(3-phenoxyphenyl)methyl]piperazine; ethanedioic acid Openeye Name: 1-[(3,4-dimethoxyphenyl)methyl]-4-[(3-phenoxyphenyl)methyl]piperazine; oxalic acid CAS Name: 1-[(3,4-dimethoxyphenyl)methyl]-4-[(3-phenoxyphenyl)methyl]piperazine; oxalic acid IUPAC Name: 1-[(3,4-dimethoxyphenyl)methyl]-4-[(3-phenoxyphenyl)methyl]piperazine; oxalic acid Traditional Name: oxalic acid; 1-(3-phenoxybenzyl)-4-veratryl-piperazine Formula: C28H32N2O7 MolecularWeight: 508.56288

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCN(CC2)CC3=CC(=CC=C3)OC4=CC=CC=C4)OC.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCN(CC2)CC3=CC(=CC=C3)OC4=CC=CC=C4)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C26H30N2O3.C2H2O4/c1-29-25-12-11-22(18-26(25)30-2)20-28-15-13-27(14-16-28)19-21-7-6-10-24(17-21)31-23-8-4-3-5-9-23;3-1(4)2(5)6/h3-12,17-18H,13-16,19-20H2,1-2H3;(H,3,4)(H,5,6)