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

Systemtic Name: (E)-but-2-enedioic acid; [1-(3-ethylphenyl)pyrrolidin-2-yl]methanamine Openeye Name: [1-(3-ethylphenyl)pyrrolidin-2-yl]methanamine; fumaric acid CAS Name: (E)-2-butenedioic acid; [1-(3-ethylphenyl)-2-pyrrolidinyl]methanamine IUPAC Name: (E)-but-2-enedioic acid; [1-(3-ethylphenyl)pyrrolidin-2-yl]methanamine Traditional Name: [1-(3-ethylphenyl)pyrrolidin-2-yl]methylamine; fumaric acid Formula: C17H24N2O4 MolecularWeight: 320.38346

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)N2CCCC2CN.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCC1=CC(=CC=C1)N2CCCC2CN.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C13H20N2.C4H4O4/c1-2-11-5-3-6-12(9-11)15-8-4-7-13(15)10-14;5-3(6)1-2-4(7)8/h3,5-6,9,13H,2,4,7-8,10,14H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+