ethanedioic acid; 1-methyl-4-[2-[4-methyl-2-(phenylmethyl)phenoxy]ethyl]piperazine

Systemtic Name: ethanedioic acid; 1-methyl-4-[2-[4-methyl-2-(phenylmethyl)phenoxy]ethyl]piperazine Openeye Name: 1-[2-(2-benzyl-4-methyl-phenoxy)ethyl]-4-methyl-piperazine; oxalic acid CAS Name: 1-methyl-4-[2-[4-methyl-2-(phenylmethyl)phenoxy]ethyl]piperazine; oxalic acid IUPAC Name: 1-[2-(2-benzyl-4-methylphenoxy)ethyl]-4-methylpiperazine; oxalic acid Traditional Name: 1-[2-(2-benzyl-4-methyl-phenoxy)ethyl]-4-methyl-piperazine; oxalic acid Formula: C23H30N2O5 MolecularWeight: 414.4947

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCCN2CCN(CC2)C)CC3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=C(C=C1)OCCN2CCN(CC2)C)CC3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H28N2O.C2H2O4/c1-18-8-9-21(20(16-18)17-19-6-4-3-5-7-19)24-15-14-23-12-10-22(2)11-13-23;3-1(4)2(5)6/h3-9,16H,10-15,17H2,1-2H3;(H,3,4)(H,5,6)