2-[3-[4-chloranyl-1-(4-fluoranyl-3-methyl-phenyl)-3H-2-benzofuran-1-yl]propyl-methyl-amino]ethanoic acid

Systemtic Name: 2-[3-[4-chloranyl-1-(4-fluoranyl-3-methyl-phenyl)-3H-2-benzofuran-1-yl]propyl-methyl-amino]ethanoic acid Openeye Name: 2-[3-[4-chloro-1-(4-fluoro-3-methyl-phenyl)-3H-isobenzofuran-1-yl]propyl-methyl-amino]acetic acid CAS Name: 2-[3-[4-chloro-1-(4-fluoro-3-methylphenyl)-3H-isobenzofuran-1-yl]propyl-methylamino]acetic acid IUPAC Name: 2-[3-[4-chloro-1-(4-fluoro-3-methylphenyl)-3H-2-benzofuran-1-yl]propyl-methylamino]acetic acid Traditional Name: 2-[3-[4-chloro-1-(4-fluoro-3-methyl-phenyl)phthalan-1-yl]propyl-methyl-amino]acetic 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)CCCN(C)CC(=O)O)F

Isomeric SMILES

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

InChI

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