(E)-but-2-enedioic acid; 2-(2,5-dimethyl-1H-indol-3-yl)ethanamine

Systemtic Name: (E)-but-2-enedioic acid; 2-(2,5-dimethyl-1H-indol-3-yl)ethanamine Openeye Name: 2-(2,5-dimethyl-1H-indol-3-yl)ethanamine; fumaric acid CAS Name: (E)-2-butenedioic acid; 2-(2,5-dimethyl-1H-indol-3-yl)ethanamine IUPAC Name: (E)-but-2-enedioic acid; 2-(2,5-dimethyl-1H-indol-3-yl)ethanamine Traditional Name: 2-(2,5-dimethyl-1H-indol-3-yl)ethylamine; fumaric acid Formula: C16H20N2O4 MolecularWeight: 304.341

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=C2CCN)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=C2CCN)C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C12H16N2.C4H4O4/c1-8-3-4-12-11(7-8)10(5-6-13)9(2)14-12;5-3(6)1-2-4(7)8/h3-4,7,14H,5-6,13H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+