3-[5-bromanyl-1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]-N,N-dimethyl-propan-1-amine; ethanedioic acid

Systemtic Name: 3-[5-bromanyl-1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]-N,N-dimethyl-propan-1-amine; ethanedioic acid Openeye Name: 3-[5-bromo-1-(4-fluorophenyl)-3H-isobenzofuran-1-yl]-N,N-dimethyl-propan-1-amine; oxalic acid CAS Name: 3-[5-bromo-1-(4-fluorophenyl)-3H-isobenzofuran-1-yl]-N,N-dimethyl-1-propanamine; oxalic acid IUPAC Name: 3-[5-bromo-1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine; oxalic acid Traditional Name: 3-[5-bromo-1-(4-fluorophenyl)phthalan-1-yl]propyl-dimethyl-amine; oxalic acid Formula: C21H23BrFNO5 MolecularWeight: 468.313423

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCC1(C2=C(CO1)C=C(C=C2)Br)C3=CC=C(C=C3)F.C(=O)(C(=O)O)O

Isomeric SMILES

CN(C)CCCC1(C2=C(CO1)C=C(C=C2)Br)C3=CC=C(C=C3)F.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H21BrFNO.C2H2O4/c1-22(2)11-3-10-19(15-4-7-17(21)8-5-15)18-9-6-16(20)12-14(18)13-23-19;3-1(4)2(5)6/h4-9,12H,3,10-11,13H2,1-2H3;(H,3,4)(H,5,6)