3-[2-(2-bromanyl-5-fluoranyl-phenoxy)phenyl]-N-methyl-propan-1-amine; (E)-but-2-enedioic acid

Systemtic Name: 3-[2-(2-bromanyl-5-fluoranyl-phenoxy)phenyl]-N-methyl-propan-1-amine; (E)-but-2-enedioic acid Openeye Name: 3-[2-(2-bromo-5-fluoro-phenoxy)phenyl]-N-methyl-propan-1-amine; fumaric acid CAS Name: 3-[2-(2-bromo-5-fluorophenoxy)phenyl]-N-methyl-1-propanamine; (E)-2-butenedioic acid IUPAC Name: 3-[2-(2-bromo-5-fluorophenoxy)phenyl]-N-methylpropan-1-amine; (E)-but-2-enedioic acid Traditional Name: 3-[2-(2-bromo-5-fluoro-phenoxy)phenyl]propyl-methyl-amine; fumaric acid Formula: C20H21BrFNO5 MolecularWeight: 454.286843

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Descriptors Computed from Structure

Canonical SMILES:

CNCCCC1=CC=CC=C1OC2=C(C=CC(=C2)F)Br.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CNCCCC1=CC=CC=C1OC2=C(C=CC(=C2)F)Br.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C16H17BrFNO.C4H4O4/c1-19-10-4-6-12-5-2-3-7-15(12)20-16-11-13(18)8-9-14(16)17;5-3(6)1-2-4(7)8/h2-3,5,7-9,11,19H,4,6,10H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+