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

Systemtic Name: (E)-but-2-enedioic acid; 1-(5-fluoranyl-6-iodanyl-2,3-dihydroindol-1-yl)propan-2-amine Openeye Name: 1-(5-fluoro-6-iodo-indolin-1-yl)propan-2-amine; fumaric acid CAS Name: (E)-2-butenedioic acid; 1-(5-fluoro-6-iodo-2,3-dihydroindol-1-yl)-2-propanamine IUPAC Name: (E)-but-2-enedioic acid; 1-(5-fluoro-6-iodo-2,3-dihydroindol-1-yl)propan-2-amine Traditional Name: [2-(5-fluoro-6-iodo-indolin-1-yl)-1-methyl-ethyl]amine; fumaric acid Formula: C15H18FIN2O4 MolecularWeight: 436.217293

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1CCC2=CC(=C(C=C21)I)F)N.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(CN1CCC2=CC(=C(C=C21)I)F)N.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C11H14FIN2.C4H4O4/c1-7(14)6-15-3-2-8-4-9(12)10(13)5-11(8)15;5-3(6)1-2-4(7)8/h4-5,7H,2-3,6,14H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+