1-(2-adamantyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine; ethanedioic acid

Systemtic Name: 1-(2-adamantyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine; ethanedioic acid Openeye Name: 1-(2-adamantyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine; oxalic acid CAS Name: 1-(2-adamantyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine; oxalic acid IUPAC Name: 1-(2-adamantyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine; oxalic acid Traditional Name: 1-(2-adamantyl)-4-(3,4,5-trimethoxybenzyl)piperazine; oxalic acid Formula: C26H38N2O7 MolecularWeight: 490.58912

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CN2CCN(CC2)C3C4CC5CC(C4)CC3C5.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CN2CCN(CC2)C3C4CC5CC(C4)CC3C5.C(=O)(C(=O)O)O

InChI

InChI=1S/C24H36N2O3.C2H2O4/c1-27-21-13-18(14-22(28-2)24(21)29-3)15-25-4-6-26(7-5-25)23-19-9-16-8-17(11-19)12-20(23)10-16;3-1(4)2(5)6/h13-14,16-17,19-20,23H,4-12,15H2,1-3H3;(H,3,4)(H,5,6)