ethanedioic acid; 1-(furan-2-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine

Systemtic Name: ethanedioic acid; 1-(furan-2-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine Openeye Name: 1-(2-furylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine; oxalic acid CAS Name: 1-(2-furanylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine; oxalic acid IUPAC Name: 1-(furan-2-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine; oxalic acid Traditional Name: 1-(2-furfuryl)-4-[3-(trifluoromethyl)phenyl]piperazine; oxalic acid Formula: C18H19F3N2O5 MolecularWeight: 400.34907

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CO2)C3=CC=CC(=C3)C(F)(F)F.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=CC=CO2)C3=CC=CC(=C3)C(F)(F)F.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H17F3N2O.C2H2O4/c17-16(18,19)13-3-1-4-14(11-13)21-8-6-20(7-9-21)12-15-5-2-10-22-15;3-1(4)2(5)6/h1-5,10-11H,6-9,12H2;(H,3,4)(H,5,6)