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

Systemtic Name: ethanedioic acid; 4-methoxy-2-[[4-[(3-methylphenyl)methyl]piperazin-1-yl]methyl]phenol Openeye Name: 4-methoxy-2-[[4-(m-tolylmethyl)piperazin-1-yl]methyl]phenol; oxalic acid CAS Name: 4-methoxy-2-[[4-[(3-methylphenyl)methyl]-1-piperazinyl]methyl]phenol; oxalic acid IUPAC Name: 4-methoxy-2-[[4-[(3-methylphenyl)methyl]piperazin-1-yl]methyl]phenol; oxalic acid Traditional Name: 4-methoxy-2-[[4-(3-methylbenzyl)piperazino]methyl]phenol; oxalic acid Formula: C22H28N2O6 MolecularWeight: 416.46752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O2.C2H2O4/c1-16-4-3-5-17(12-16)14-21-8-10-22(11-9-21)15-18-13-19(24-2)6-7-20(18)23;3-1(4)2(5)6/h3-7,12-13,23H,8-11,14-15H2,1-2H3;(H,3,4)(H,5,6)