2,6-dimethoxy-4-[[4-(3-methylcyclohexyl)piperazin-1-yl]methyl]phenol; ethanedioic acid

Systemtic Name: 2,6-dimethoxy-4-[[4-(3-methylcyclohexyl)piperazin-1-yl]methyl]phenol; ethanedioic acid Openeye Name: 2,6-dimethoxy-4-[[4-(3-methylcyclohexyl)piperazin-1-yl]methyl]phenol; oxalic acid CAS Name: 2,6-dimethoxy-4-[[4-(3-methylcyclohexyl)-1-piperazinyl]methyl]phenol; oxalic acid IUPAC Name: 2,6-dimethoxy-4-[[4-(3-methylcyclohexyl)piperazin-1-yl]methyl]phenol; oxalic acid Traditional Name: 2,6-dimethoxy-4-[[4-(3-methylcyclohexyl)piperazino]methyl]phenol; oxalic acid Formula: C22H34N2O7 MolecularWeight: 438.51456

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1)N2CCN(CC2)CC3=CC(=C(C(=C3)OC)O)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CC1CCCC(C1)N2CCN(CC2)CC3=CC(=C(C(=C3)OC)O)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H32N2O3.C2H2O4/c1-15-5-4-6-17(11-15)22-9-7-21(8-10-22)14-16-12-18(24-2)20(23)19(13-16)25-3;3-1(4)2(5)6/h12-13,15,17,23H,4-11,14H2,1-3H3;(H,3,4)(H,5,6)