ethanedioic acid; 1-[(2-methylphenyl)methyl]-4-(naphthalen-1-ylmethyl)piperazine

Systemtic Name: ethanedioic acid; 1-[(2-methylphenyl)methyl]-4-(naphthalen-1-ylmethyl)piperazine Openeye Name: 1-(1-naphthylmethyl)-4-(o-tolylmethyl)piperazine; oxalic acid CAS Name: 1-[(2-methylphenyl)methyl]-4-(1-naphthalenylmethyl)piperazine; oxalic acid IUPAC Name: 1-[(2-methylphenyl)methyl]-4-(naphthalen-1-ylmethyl)piperazine; oxalic acid Traditional Name: 1-(2-methylbenzyl)-4-(1-naphthylmethyl)piperazine; oxalic acid Formula: C25H28N2O4 MolecularWeight: 420.50082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCN(CC2)CC3=CC=CC4=CC=CC=C43.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC=CC=C1CN2CCN(CC2)CC3=CC=CC4=CC=CC=C43.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H26N2.C2H2O4/c1-19-7-2-3-9-21(19)17-24-13-15-25(16-14-24)18-22-11-6-10-20-8-4-5-12-23(20)22;3-1(4)2(5)6/h2-12H,13-18H2,1H3;(H,3,4)(H,5,6)