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

Systemtic Name: 2-[3-[5-cyano-1-(4-fluoranyl-3-methyl-phenyl)-3H-2-benzofuran-1-yl]propyl-methyl-amino]ethanoic acid Openeye Name: 2-[3-[5-cyano-1-(4-fluoro-3-methyl-phenyl)-3H-isobenzofuran-1-yl]propyl-methyl-amino]acetic acid CAS Name: 2-[3-[5-cyano-1-(4-fluoro-3-methylphenyl)-3H-isobenzofuran-1-yl]propyl-methylamino]acetic acid IUPAC Name: 2-[3-[5-cyano-1-(4-fluoro-3-methylphenyl)-3H-2-benzofuran-1-yl]propyl-methylamino]acetic acid Traditional Name: 2-[3-[5-cyano-1-(4-fluoro-3-methyl-phenyl)phthalan-1-yl]propyl-methyl-amino]acetic acid Formula: C22H23FN2O3 MolecularWeight: 382.428023

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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)CCCN(C)CC(=O)O)F

Isomeric SMILES

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

InChI

InChI=1S/C22H23FN2O3/c1-15-10-18(5-7-20(15)23)22(8-3-9-25(2)13-21(26)27)19-6-4-16(12-24)11-17(19)14-28-22/h4-7,10-11H,3,8-9,13-14H2,1-2H3,(H,26,27)