(E)-but-2-enedioic acid; (2S)-1-(3-ethyl-6-fluoranyl-indazol-1-yl)propan-2-amine

Systemtic Name: (E)-but-2-enedioic acid; (2S)-1-(3-ethyl-6-fluoranyl-indazol-1-yl)propan-2-amine Openeye Name: (2S)-1-(3-ethyl-6-fluoro-indazol-1-yl)propan-2-amine; fumaric acid CAS Name: (E)-2-butenedioic acid; (2S)-1-(3-ethyl-6-fluoro-1-indazolyl)-2-propanamine IUPAC Name: (E)-but-2-enedioic acid; (2S)-1-(3-ethyl-6-fluoroindazol-1-yl)propan-2-amine Traditional Name: [(1S)-2-(3-ethyl-6-fluoro-indazol-1-yl)-1-methyl-ethyl]amine; fumaric acid Formula: C16H20FN3O4 MolecularWeight: 337.346103

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C2=C1C=CC(=C2)F)CC(C)N.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCC1=NN(C2=C1C=CC(=C2)F)C[C@H](C)N.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C12H16FN3.C4H4O4/c1-3-11-10-5-4-9(13)6-12(10)16(15-11)7-8(2)14;5-3(6)1-2-4(7)8/h4-6,8H,3,7,14H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/t8-;/m0./s1