(E)-but-2-enedioic acid; 1-(5-fluoranyl-6-methyl-2,3-dihydroindol-1-yl)propan-2-amine

Systemtic Name: (E)-but-2-enedioic acid; 1-(5-fluoranyl-6-methyl-2,3-dihydroindol-1-yl)propan-2-amine Openeye Name: 1-(5-fluoro-6-methyl-indolin-1-yl)propan-2-amine; fumaric acid CAS Name: (E)-2-butenedioic acid; 1-(5-fluoro-6-methyl-2,3-dihydroindol-1-yl)-2-propanamine IUPAC Name: (E)-but-2-enedioic acid; 1-(5-fluoro-6-methyl-2,3-dihydroindol-1-yl)propan-2-amine Traditional Name: [2-(5-fluoro-6-methyl-indolin-1-yl)-1-methyl-ethyl]amine; fumaric acid Formula: C16H21FN2O4 MolecularWeight: 324.347343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2CCN(C2=C1)CC(C)N)F.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=C(C=C2CCN(C2=C1)CC(C)N)F.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C12H17FN2.C4H4O4/c1-8-5-12-10(6-11(8)13)3-4-15(12)7-9(2)14;5-3(6)1-2-4(7)8/h5-6,9H,3-4,7,14H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+