ethanedioic acid; 2-phenyl-1-[4-(3-phenylpropyl)piperazin-1-yl]ethanone

Systemtic Name: ethanedioic acid; 2-phenyl-1-[4-(3-phenylpropyl)piperazin-1-yl]ethanone Openeye Name: oxalic acid; 2-phenyl-1-[4-(3-phenylpropyl)piperazin-1-yl]ethanone CAS Name: oxalic acid; 2-phenyl-1-[4-(3-phenylpropyl)-1-piperazinyl]ethanone IUPAC Name: oxalic acid; 2-phenyl-1-[4-(3-phenylpropyl)piperazin-1-yl]ethanone Traditional Name: oxalic acid; 2-phenyl-1-[4-(3-phenylpropyl)piperazino]ethanone Formula: C23H28N2O5 MolecularWeight: 412.47882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCC2=CC=CC=C2)C(=O)CC3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CCCC2=CC=CC=C2)C(=O)CC3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H26N2O.C2H2O4/c24-21(18-20-10-5-2-6-11-20)23-16-14-22(15-17-23)13-7-12-19-8-3-1-4-9-19;3-1(4)2(5)6/h1-6,8-11H,7,12-18H2;(H,3,4)(H,5,6)