ethanedioic acid; 3-(furan-2-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]propanamide

Systemtic Name: ethanedioic acid; 3-(furan-2-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]propanamide Openeye Name: 3-(2-furylmethylamino)-N-[3-(trifluoromethyl)phenyl]propanamide; oxalic acid CAS Name: 3-(2-furanylmethylamino)-N-[3-(trifluoromethyl)phenyl]propanamide; oxalic acid IUPAC Name: 3-(furan-2-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]propanamide; oxalic acid Traditional Name: 3-(2-furfurylamino)-N-[3-(trifluoromethyl)phenyl]propionamide; oxalic acid Formula: C17H17F3N2O6 MolecularWeight: 402.32189

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)CCNCC2=CC=CO2)C(F)(F)F.C(=O)(C(=O)O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)CCNCC2=CC=CO2)C(F)(F)F.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H15F3N2O2.C2H2O4/c16-15(17,18)11-3-1-4-12(9-11)20-14(21)6-7-19-10-13-5-2-8-22-13;3-1(4)2(5)6/h1-5,8-9,19H,6-7,10H2,(H,20,21);(H,3,4)(H,5,6)