(E)-but-2-enedioic acid; N-[2-(1H-indol-3-yl)ethyl]propan-2-amine

Systemtic Name: (E)-but-2-enedioic acid; N-[2-(1H-indol-3-yl)ethyl]propan-2-amine Openeye Name: fumaric acid; N-[2-(1H-indol-3-yl)ethyl]propan-2-amine CAS Name: (E)-2-butenedioic acid; N-[2-(1H-indol-3-yl)ethyl]-2-propanamine IUPAC Name: (E)-but-2-enedioic acid; N-[2-(1H-indol-3-yl)ethyl]propan-2-amine Traditional Name: fumaric acid; 2-(1H-indol-3-yl)ethyl-isopropyl-amine Formula: C17H22N2O4 MolecularWeight: 318.36758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCCC1=CNC2=CC=CC=C21.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(C)NCCC1=CNC2=CC=CC=C21.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C13H18N2.C4H4O4/c1-10(2)14-8-7-11-9-15-13-6-4-3-5-12(11)13;5-3(6)1-2-4(7)8/h3-6,9-10,14-15H,7-8H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+