4-(3-bromanylbenzo[b][1]benzoxepin-5-yl)-1-methyl-3,6-dihydro-2H-pyridine; (E)-but-2-enedioic acid

Systemtic Name: 4-(3-bromanylbenzo[b][1]benzoxepin-5-yl)-1-methyl-3,6-dihydro-2H-pyridine; (E)-but-2-enedioic acid Openeye Name: 4-(3-bromobenzo[b][1]benzoxepin-5-yl)-1-methyl-3,6-dihydro-2H-pyridine; fumaric acid CAS Name: 4-(3-bromo-5-benzo[b][1]benzoxepinyl)-1-methyl-3,6-dihydro-2H-pyridine; (E)-2-butenedioic acid IUPAC Name: 4-(3-bromobenzo[b][1]benzoxepin-5-yl)-1-methyl-3,6-dihydro-2H-pyridine; (E)-but-2-enedioic acid Traditional Name: 4-(3-bromobenzo[b][1]benzoxepin-5-yl)-1-methyl-3,6-dihydro-2H-pyridine; fumaric acid Formula: C24H22BrNO5 MolecularWeight: 484.33918

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(=CC1)C2=CC3=CC=CC=C3OC4=C2C=C(C=C4)Br.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1CCC(=CC1)C2=CC3=CC=CC=C3OC4=C2C=C(C=C4)Br.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C20H18BrNO.C4H4O4/c1-22-10-8-14(9-11-22)17-12-15-4-2-3-5-19(15)23-20-7-6-16(21)13-18(17)20;5-3(6)1-2-4(7)8/h2-8,12-13H,9-11H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+