1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carboxylic acid

Systemtic Name: 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carboxylic acid Openeye Name: 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-isobenzofuran-5-carboxylic acid CAS Name: 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-isobenzofuran-5-carboxylic acid IUPAC Name: 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carboxylic acid Traditional Name: 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)phthalan-5-carboxylic acid Formula: C20H22FNO3 MolecularWeight: 343.391983

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H22FNO3/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)