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

Systemtic Name: 4-[(4-cyclohexylpiperazin-1-yl)methyl]-2,6-dimethoxy-phenol; ethanedioic acid Openeye Name: 4-[(4-cyclohexylpiperazin-1-yl)methyl]-2,6-dimethoxy-phenol; oxalic acid CAS Name: 4-[(4-cyclohexyl-1-piperazinyl)methyl]-2,6-dimethoxyphenol; oxalic acid IUPAC Name: 4-[(4-cyclohexylpiperazin-1-yl)methyl]-2,6-dimethoxyphenol; oxalic acid Traditional Name: 4-[(4-cyclohexylpiperazino)methyl]-2,6-dimethoxy-phenol; oxalic acid Formula: C21H32N2O7 MolecularWeight: 424.48798

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)OC)CN2CCN(CC2)C3CCCCC3.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC(=CC(=C1O)OC)CN2CCN(CC2)C3CCCCC3.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H30N2O3.C2H2O4/c1-23-17-12-15(13-18(24-2)19(17)22)14-20-8-10-21(11-9-20)16-6-4-3-5-7-16;3-1(4)2(5)6/h12-13,16,22H,3-11,14H2,1-2H3;(H,3,4)(H,5,6)