(E)-but-2-enedioic acid; N-methyl-1,2,3,4-tetrahydroquinolin-3-amine

Systemtic Name: (E)-but-2-enedioic acid; N-methyl-1,2,3,4-tetrahydroquinolin-3-amine Openeye Name: fumaric acid; N-methyl-1,2,3,4-tetrahydroquinolin-3-amine CAS Name: (E)-2-butenedioic acid; N-methyl-1,2,3,4-tetrahydroquinolin-3-amine IUPAC Name: (E)-but-2-enedioic acid; N-methyl-1,2,3,4-tetrahydroquinolin-3-amine Traditional Name: fumaric acid; methyl(1,2,3,4-tetrahydroquinolin-3-yl)amine Formula: C14H18N2O4 MolecularWeight: 278.30372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC1CC2=CC=CC=C2NC1.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CNC1CC2=CC=CC=C2NC1.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C10H14N2.C4H4O4/c1-11-9-6-8-4-2-3-5-10(8)12-7-9;5-3(6)1-2-4(7)8/h2-5,9,11-12H,6-7H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+