(E)-but-2-enedioic acid; N,11-dimethyl-5,6-dihydrobenzo[b][1]benzazepin-5-amine

Systemtic Name: (E)-but-2-enedioic acid; N,11-dimethyl-5,6-dihydrobenzo[b][1]benzazepin-5-amine Openeye Name: N,11-dimethyl-5,6-dihydrobenzo[b][1]benzazepin-5-amine; fumaric acid CAS Name: (E)-2-butenedioic acid; N,11-dimethyl-5,6-dihydrobenzo[b][1]benzazepin-5-amine IUPAC Name: (E)-but-2-enedioic acid; N,11-dimethyl-5,6-dihydrobenzo[b][1]benzazepin-5-amine Traditional Name: fumaric acid; methyl-(11-methyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl)amine Formula: C20H22N2O4 MolecularWeight: 354.39968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC1CC2=CC=CC=C2N(C3=CC=CC=C13)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CNC1CC2=CC=CC=C2N(C3=CC=CC=C13)C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C16H18N2.C4H4O4/c1-17-14-11-12-7-3-5-9-15(12)18(2)16-10-6-4-8-13(14)16;5-3(6)1-2-4(7)8/h3-10,14,17H,11H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+