(E)-but-2-enedioic acid; 6-ethyl-4-methyl-pyridin-2-amine

Systemtic Name: (E)-but-2-enedioic acid; 6-ethyl-4-methyl-pyridin-2-amine Openeye Name: 6-ethyl-4-methyl-pyridin-2-amine; fumaric acid CAS Name: (E)-2-butenedioic acid; 6-ethyl-4-methyl-2-pyridinamine IUPAC Name: (E)-but-2-enedioic acid; 6-ethyl-4-methylpyridin-2-amine Traditional Name: (6-ethyl-4-methyl-2-pyridyl)amine; fumaric acid Formula: C20H28N4O4 MolecularWeight: 388.46072

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=CC(=C1)C)N.CCC1=NC(=CC(=C1)C)N.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCC1=NC(=CC(=C1)C)N.CCC1=NC(=CC(=C1)C)N.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/2C8H12N2.C4H4O4/c2*1-3-7-4-6(2)5-8(9)10-7;5-3(6)1-2-4(7)8/h2*4-5H,3H2,1-2H3,(H2,9,10);1-2H,(H,5,6)(H,7,8)/b;;2-1+