2-(6H-benzo[b][1,4]benzodioxepin-6-yl)-N-methyl-ethanamine; (E)-but-2-enedioic acid

Systemtic Name: 2-(6H-benzo[b][1,4]benzodioxepin-6-yl)-N-methyl-ethanamine; (E)-but-2-enedioic acid Openeye Name: 2-(6H-benzo[b][1,4]benzodioxepin-6-yl)-N-methyl-ethanamine; fumaric acid CAS Name: 2-(6H-benzo[b][1,4]benzodioxepin-6-yl)-N-methylethanamine; (E)-2-butenedioic acid IUPAC Name: 2-(6H-benzo[b][1,4]benzodioxepin-6-yl)-N-methylethanamine; (E)-but-2-enedioic acid Traditional Name: 2-(6H-benzo[b][1,4]benzodioxepin-6-yl)ethyl-methyl-amine; fumaric acid Formula: C20H21NO6 MolecularWeight: 371.38384

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Descriptors Computed from Structure

Canonical SMILES:

CNCCC1C2=CC=CC=C2OC3=CC=CC=C3O1.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CNCCC1C2=CC=CC=C2OC3=CC=CC=C3O1.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C16H17NO2.C4H4O4/c1-17-11-10-14-12-6-2-3-7-13(12)18-15-8-4-5-9-16(15)19-14;5-3(6)1-2-4(7)8/h2-9,14,17H,10-11H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+