(E)-but-2-enedioic acid; 4-(5-fluoranyl-1-benzofuran-6-yl)-3-methyl-butan-2-amine

Systemtic Name: (E)-but-2-enedioic acid; 4-(5-fluoranyl-1-benzofuran-6-yl)-3-methyl-butan-2-amine Openeye Name: 4-(5-fluorobenzofuran-6-yl)-3-methyl-butan-2-amine; fumaric acid CAS Name: (E)-2-butenedioic acid; 4-(5-fluoro-6-benzofuranyl)-3-methyl-2-butanamine IUPAC Name: (E)-but-2-enedioic acid; 4-(5-fluoro-1-benzofuran-6-yl)-3-methylbutan-2-amine Traditional Name: [3-(5-fluorobenzofuran-6-yl)-1,2-dimethyl-propyl]amine; fumaric acid Formula: C17H20FNO5 MolecularWeight: 337.342803

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=C(C=C2C=COC2=C1)F)C(C)N.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(CC1=C(C=C2C=COC2=C1)F)C(C)N.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C13H16FNO.C4H4O4/c1-8(9(2)15)5-11-7-13-10(3-4-16-13)6-12(11)14;5-3(6)1-2-4(7)8/h3-4,6-9H,5,15H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+