ethanedioic acid; 1-[(3-methylphenyl)methyl]-4-(naphthalen-1-ylmethyl)piperazine

Systemtic Name: ethanedioic acid; 1-[(3-methylphenyl)methyl]-4-(naphthalen-1-ylmethyl)piperazine Openeye Name: 1-(m-tolylmethyl)-4-(1-naphthylmethyl)piperazine; oxalic acid CAS Name: 1-[(3-methylphenyl)methyl]-4-(1-naphthalenylmethyl)piperazine; oxalic acid IUPAC Name: 1-[(3-methylphenyl)methyl]-4-(naphthalen-1-ylmethyl)piperazine; oxalic acid Traditional Name: 1-(3-methylbenzyl)-4-(1-naphthylmethyl)piperazine; oxalic acid Formula: C25H28N2O4 MolecularWeight: 420.50082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(CC2)CC3=CC=CC4=CC=CC=C43.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CC2)CC3=CC=CC4=CC=CC=C43.C(=O)(C(=O)O)O

InChI

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