4-[[4-(2-adamantyl)piperazin-1-yl]methyl]-2,6-dimethoxy-phenol; ethanedioic acid

Systemtic Name: 4-[[4-(2-adamantyl)piperazin-1-yl]methyl]-2,6-dimethoxy-phenol; ethanedioic acid Openeye Name: 4-[[4-(2-adamantyl)piperazin-1-yl]methyl]-2,6-dimethoxy-phenol; oxalic acid CAS Name: 4-[[4-(2-adamantyl)-1-piperazinyl]methyl]-2,6-dimethoxyphenol; oxalic acid IUPAC Name: 4-[[4-(2-adamantyl)piperazin-1-yl]methyl]-2,6-dimethoxyphenol; oxalic acid Traditional Name: 4-[[4-(2-adamantyl)piperazino]methyl]-2,6-dimethoxy-phenol; oxalic acid Formula: C25H36N2O7 MolecularWeight: 476.56254

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)OC)CN2CCN(CC2)C3C4CC5CC(C4)CC3C5.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC(=CC(=C1O)OC)CN2CCN(CC2)C3C4CC5CC(C4)CC3C5.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H34N2O3.C2H2O4/c1-27-20-12-17(13-21(28-2)23(20)26)14-24-3-5-25(6-4-24)22-18-8-15-7-16(10-18)11-19(22)9-15;3-1(4)2(5)6/h12-13,15-16,18-19,22,26H,3-11,14H2,1-2H3;(H,3,4)(H,5,6)