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

Systemtic Name: ethanedioic acid; 1-[(3-methylphenyl)methyl]-4-(3-phenylpropyl)piperazine Openeye Name: 1-(m-tolylmethyl)-4-(3-phenylpropyl)piperazine; oxalic acid CAS Name: 1-[(3-methylphenyl)methyl]-4-(3-phenylpropyl)piperazine; oxalic acid IUPAC Name: 1-[(3-methylphenyl)methyl]-4-(3-phenylpropyl)piperazine; oxalic acid Traditional Name: 1-(3-methylbenzyl)-4-(3-phenylpropyl)piperazine; oxalic acid Formula: C23H30N2O4 MolecularWeight: 398.4953

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(CC2)CCCC3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CC2)CCCC3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H28N2.C2H2O4/c1-19-7-5-10-21(17-19)18-23-15-13-22(14-16-23)12-6-11-20-8-3-2-4-9-20;3-1(4)2(5)6/h2-5,7-10,17H,6,11-16,18H2,1H3;(H,3,4)(H,5,6)