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

Systemtic Name: 4-[(4-butan-2-ylpiperazin-1-yl)methyl]-2,6-dimethoxy-phenol; ethanedioic acid Openeye Name: 2,6-dimethoxy-4-[(4-sec-butylpiperazin-1-yl)methyl]phenol; oxalic acid CAS Name: 4-[(4-butan-2-yl-1-piperazinyl)methyl]-2,6-dimethoxyphenol; oxalic acid IUPAC Name: 4-[(4-butan-2-ylpiperazin-1-yl)methyl]-2,6-dimethoxyphenol; oxalic acid Traditional Name: 2,6-dimethoxy-4-[(4-sec-butylpiperazino)methyl]phenol; oxalic acid Formula: C19H30N2O7 MolecularWeight: 398.4507

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1CCN(CC1)CC2=CC(=C(C(=C2)OC)O)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CCC(C)N1CCN(CC1)CC2=CC(=C(C(=C2)OC)O)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H28N2O3.C2H2O4/c1-5-13(2)19-8-6-18(7-9-19)12-14-10-15(21-3)17(20)16(11-14)22-4;3-1(4)2(5)6/h10-11,13,20H,5-9,12H2,1-4H3;(H,3,4)(H,5,6)