ethanedioic acid; N-(furan-2-ylmethyl)-1-[2-(trifluoromethyl)phenyl]methanamine

Systemtic Name: ethanedioic acid; N-(furan-2-ylmethyl)-1-[2-(trifluoromethyl)phenyl]methanamine Openeye Name: N-(2-furylmethyl)-1-[2-(trifluoromethyl)phenyl]methanamine; oxalic acid CAS Name: N-(2-furanylmethyl)-1-[2-(trifluoromethyl)phenyl]methanamine; oxalic acid IUPAC Name: N-(furan-2-ylmethyl)-1-[2-(trifluoromethyl)phenyl]methanamine; oxalic acid Traditional Name: 2-furfuryl-[2-(trifluoromethyl)benzyl]amine; oxalic acid Formula: C15H14F3NO5 MolecularWeight: 345.27057

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CNCC2=CC=CO2)C(F)(F)F.C(=O)(C(=O)O)O

Isomeric SMILES

C1=CC=C(C(=C1)CNCC2=CC=CO2)C(F)(F)F.C(=O)(C(=O)O)O

InChI

InChI=1S/C13H12F3NO.C2H2O4/c14-13(15,16)12-6-2-1-4-10(12)8-17-9-11-5-3-7-18-11;3-1(4)2(5)6/h1-7,17H,8-9H2;(H,3,4)(H,5,6)