2-[3-[4-chloranyl-1-(4-fluoranyl-3-methyl-phenyl)-3H-2-benzofuran-1-yl]propylamino]propanoic acid

Systemtic Name: 2-[3-[4-chloranyl-1-(4-fluoranyl-3-methyl-phenyl)-3H-2-benzofuran-1-yl]propylamino]propanoic acid Openeye Name: 2-[3-[4-chloro-1-(4-fluoro-3-methyl-phenyl)-3H-isobenzofuran-1-yl]propylamino]propanoic acid CAS Name: 2-[3-[4-chloro-1-(4-fluoro-3-methylphenyl)-3H-isobenzofuran-1-yl]propylamino]propanoic acid IUPAC Name: 2-[3-[4-chloro-1-(4-fluoro-3-methylphenyl)-3H-2-benzofuran-1-yl]propylamino]propanoic acid Traditional Name: 2-[3-[4-chloro-1-(4-fluoro-3-methyl-phenyl)phthalan-1-yl]propylamino]propionic acid Formula: C21H23ClFNO3 MolecularWeight: 391.863623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2(C3=C(CO2)C(=CC=C3)Cl)CCCNC(C)C(=O)O)F

Isomeric SMILES

CC1=C(C=CC(=C1)C2(C3=C(CO2)C(=CC=C3)Cl)CCCNC(C)C(=O)O)F

InChI

InChI=1S/C21H23ClFNO3/c1-13-11-15(7-8-19(13)23)21(9-4-10-24-14(2)20(25)26)17-5-3-6-18(22)16(17)12-27-21/h3,5-8,11,14,24H,4,9-10,12H2,1-2H3,(H,25,26)