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

Systemtic Name: 4-[(4-cycloheptylpiperazin-1-yl)methyl]-2,6-dimethoxy-phenol; ethanedioic acid Openeye Name: 4-[(4-cycloheptylpiperazin-1-yl)methyl]-2,6-dimethoxy-phenol; oxalic acid CAS Name: 4-[(4-cycloheptyl-1-piperazinyl)methyl]-2,6-dimethoxyphenol; oxalic acid IUPAC Name: 4-[(4-cycloheptylpiperazin-1-yl)methyl]-2,6-dimethoxyphenol; oxalic acid Traditional Name: 4-[(4-cycloheptylpiperazino)methyl]-2,6-dimethoxy-phenol; oxalic acid Formula: C22H34N2O7 MolecularWeight: 438.51456

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)OC)CN2CCN(CC2)C3CCCCCC3.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC(=CC(=C1O)OC)CN2CCN(CC2)C3CCCCCC3.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H32N2O3.C2H2O4/c1-24-18-13-16(14-19(25-2)20(18)23)15-21-9-11-22(12-10-21)17-7-5-3-4-6-8-17;3-1(4)2(5)6/h13-14,17,23H,3-12,15H2,1-2H3;(H,3,4)(H,5,6)