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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F)CC(=O)O

Isomeric SMILES

CN(CCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F)CC(=O)O

InChI

InChI=1S/C20H19FN2O3/c1-23(12-19(24)25)9-8-20(16-3-5-17(21)6-4-16)18-7-2-14(11-22)10-15(18)13-26-20/h2-7,10H,8-9,12-13H2,1H3,(H,24,25)