(E)-but-2-enedioic acid; [1-(3-fluorophenyl)pyrrolidin-2-yl]methanamine

Systemtic Name: (E)-but-2-enedioic acid; [1-(3-fluorophenyl)pyrrolidin-2-yl]methanamine Openeye Name: [1-(3-fluorophenyl)pyrrolidin-2-yl]methanamine; fumaric acid CAS Name: (E)-2-butenedioic acid; [1-(3-fluorophenyl)-2-pyrrolidinyl]methanamine IUPAC Name: (E)-but-2-enedioic acid; [1-(3-fluorophenyl)pyrrolidin-2-yl]methanamine Traditional Name: [1-(3-fluorophenyl)pyrrolidin-2-yl]methylamine; fumaric acid Formula: C15H19FN2O4 MolecularWeight: 310.320763

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C2=CC(=CC=C2)F)CN.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CC(N(C1)C2=CC(=CC=C2)F)CN.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C11H15FN2.C4H4O4/c12-9-3-1-4-10(7-9)14-6-2-5-11(14)8-13;5-3(6)1-2-4(7)8/h1,3-4,7,11H,2,5-6,8,13H2;1-2H,(H,5,6)(H,7,8)/b;2-1+