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

Systemtic Name: 2-[3-[5-cyano-1-(4-fluoranyl-3-methyl-phenyl)-3H-2-benzofuran-1-yl]propylamino]ethanoic acid Openeye Name: 2-[3-[5-cyano-1-(4-fluoro-3-methyl-phenyl)-3H-isobenzofuran-1-yl]propylamino]acetic acid CAS Name: 2-[3-[5-cyano-1-(4-fluoro-3-methylphenyl)-3H-isobenzofuran-1-yl]propylamino]acetic acid IUPAC Name: 2-[3-[5-cyano-1-(4-fluoro-3-methylphenyl)-3H-2-benzofuran-1-yl]propylamino]acetic acid Traditional Name: 2-[3-[5-cyano-1-(4-fluoro-3-methyl-phenyl)phthalan-1-yl]propylamino]acetic acid Formula: C21H21FN2O3 MolecularWeight: 368.401443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2(C3=C(CO2)C=C(C=C3)C#N)CCCNCC(=O)O)F

Isomeric SMILES

CC1=C(C=CC(=C1)C2(C3=C(CO2)C=C(C=C3)C#N)CCCNCC(=O)O)F

InChI

InChI=1S/C21H21FN2O3/c1-14-9-17(4-6-19(14)22)21(7-2-8-24-12-20(25)26)18-5-3-15(11-23)10-16(18)13-27-21/h3-6,9-10,24H,2,7-8,12-13H2,1H3,(H,25,26)