sodium 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carboxylate

Systemtic Name: sodium 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carboxylate Openeye Name: sodium 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-isobenzofuran-5-carboxylate CAS Name: sodium 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-isobenzofuran-5-carboxylate IUPAC Name: sodium 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carboxylate Traditional Name: sodium 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)phthalan-5-carboxylate Formula: C20H21FNNaO3 MolecularWeight: 365.373813

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCC1(C2=C(CO1)C=C(C=C2)C(=O)[O-])C3=CC=C(C=C3)F.[Na+]

Isomeric SMILES

CN(C)CCCC1(C2=C(CO1)C=C(C=C2)C(=O)[O-])C3=CC=C(C=C3)F.[Na+]

InChI

InChI=1S/C20H22FNO3.Na/c1-22(2)11-3-10-20(16-5-7-17(21)8-6-16)18-9-4-14(19(23)24)12-15(18)13-25-20;/h4-9,12H,3,10-11,13H2,1-2H3,(H,23,24);/q;+1/p-1