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

Systemtic Name: 2,6-dimethoxy-4-[[4-[(3-methylphenyl)methyl]piperazin-1-yl]methyl]phenol; ethanedioic acid Openeye Name: 2,6-dimethoxy-4-[[4-(m-tolylmethyl)piperazin-1-yl]methyl]phenol; oxalic acid CAS Name: 2,6-dimethoxy-4-[[4-[(3-methylphenyl)methyl]-1-piperazinyl]methyl]phenol; oxalic acid IUPAC Name: 2,6-dimethoxy-4-[[4-[(3-methylphenyl)methyl]piperazin-1-yl]methyl]phenol; oxalic acid Traditional Name: 2,6-dimethoxy-4-[[4-(3-methylbenzyl)piperazino]methyl]phenol; oxalic acid Formula: C23H30N2O7 MolecularWeight: 446.4935

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(CC2)CC3=CC(=C(C(=C3)OC)O)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CC2)CC3=CC(=C(C(=C3)OC)O)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H28N2O3.C2H2O4/c1-16-5-4-6-17(11-16)14-22-7-9-23(10-8-22)15-18-12-19(25-2)21(24)20(13-18)26-3;3-1(4)2(5)6/h4-6,11-13,24H,7-10,14-15H2,1-3H3;(H,3,4)(H,5,6)