ethanedioic acid; 1-[(3-phenoxyphenyl)methyl]-4-(phenylmethyl)piperazine

Systemtic Name: ethanedioic acid; 1-[(3-phenoxyphenyl)methyl]-4-(phenylmethyl)piperazine Openeye Name: 1-benzyl-4-[(3-phenoxyphenyl)methyl]piperazine; oxalic acid CAS Name: oxalic acid; 1-[(3-phenoxyphenyl)methyl]-4-(phenylmethyl)piperazine IUPAC Name: 1-benzyl-4-[(3-phenoxyphenyl)methyl]piperazine; oxalic acid Traditional Name: 1-benzyl-4-(3-phenoxybenzyl)piperazine; oxalic acid Formula: C26H28N2O5 MolecularWeight: 448.51092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)CC3=CC(=CC=C3)OC4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)CC3=CC(=CC=C3)OC4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C24H26N2O.C2H2O4/c1-3-8-21(9-4-1)19-25-14-16-26(17-15-25)20-22-10-7-13-24(18-22)27-23-11-5-2-6-12-23;3-1(4)2(5)6/h1-13,18H,14-17,19-20H2;(H,3,4)(H,5,6)