ethanedioic acid; 1-[phenyl-[4-(trifluoromethyl)phenyl]methyl]piperazine

Systemtic Name: ethanedioic acid; 1-[phenyl-[4-(trifluoromethyl)phenyl]methyl]piperazine Openeye Name: oxalic acid; 1-[phenyl-[4-(trifluoromethyl)phenyl]methyl]piperazine CAS Name: oxalic acid; 1-[phenyl-[4-(trifluoromethyl)phenyl]methyl]piperazine IUPAC Name: oxalic acid; 1-[phenyl-[4-(trifluoromethyl)phenyl]methyl]piperazine Traditional Name: oxalic acid; 1-[phenyl-[4-(trifluoromethyl)phenyl]methyl]piperazine Formula: C20H21F3N2O4 MolecularWeight: 410.38695

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(C2=CC=CC=C2)C3=CC=C(C=C3)C(F)(F)F.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1)C(C2=CC=CC=C2)C3=CC=C(C=C3)C(F)(F)F.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H19F3N2.C2H2O4/c19-18(20,21)16-8-6-15(7-9-16)17(14-4-2-1-3-5-14)23-12-10-22-11-13-23;3-1(4)2(5)6/h1-9,17,22H,10-13H2;(H,3,4)(H,5,6)