2-[3-[5-cyano-1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]propylamino]ethanoic acid

Systemtic Name: 2-[3-[5-cyano-1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]propylamino]ethanoic acid Openeye Name: 2-[3-[5-cyano-1-(4-fluorophenyl)-3H-isobenzofuran-1-yl]propylamino]acetic acid CAS Name: 2-[3-[5-cyano-1-(4-fluorophenyl)-3H-isobenzofuran-1-yl]propylamino]acetic acid IUPAC Name: 2-[3-[5-cyano-1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]propylamino]acetic acid Traditional Name: 2-[3-[5-cyano-1-(4-fluorophenyl)phthalan-1-yl]propylamino]acetic acid Formula: C20H19FN2O3 MolecularWeight: 354.374863

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC(=C2)C#N)C(O1)(CCCNCC(=O)O)C3=CC=C(C=C3)F

Isomeric SMILES

C1C2=C(C=CC(=C2)C#N)C(O1)(CCCNCC(=O)O)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H19FN2O3/c21-17-5-3-16(4-6-17)20(8-1-9-23-12-19(24)25)18-7-2-14(11-22)10-15(18)13-26-20/h2-7,10,23H,1,8-9,12-13H2,(H,24,25)