ethanedioic acid; 3-[5-(trifluoromethyl)-1-benzofuran-7-yl]butan-2-amine

Systemtic Name: ethanedioic acid; 3-[5-(trifluoromethyl)-1-benzofuran-7-yl]butan-2-amine Openeye Name: oxalic acid; 3-[5-(trifluoromethyl)benzofuran-7-yl]butan-2-amine CAS Name: oxalic acid; 3-[5-(trifluoromethyl)-7-benzofuranyl]-2-butanamine IUPAC Name: oxalic acid; 3-[5-(trifluoromethyl)-1-benzofuran-7-yl]butan-2-amine Traditional Name: [1-methyl-2-[5-(trifluoromethyl)benzofuran-7-yl]propyl]amine; oxalic acid Formula: C15H16F3NO5 MolecularWeight: 347.28645

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C2C(=CC(=C1)C(F)(F)F)C=CO2)C(C)N.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C1=C2C(=CC(=C1)C(F)(F)F)C=CO2)C(C)N.C(=O)(C(=O)O)O

InChI

InChI=1S/C13H14F3NO.C2H2O4/c1-7(8(2)17)11-6-10(13(14,15)16)5-9-3-4-18-12(9)11;3-1(4)2(5)6/h3-8H,17H2,1-2H3;(H,3,4)(H,5,6)