2-[2-[1-(4-fluorophenyl)-3,3-dimethyl-2-benzofuran-1-yl]ethyl-methyl-amino]propanoic acid

Systemtic Name: 2-[2-[1-(4-fluorophenyl)-3,3-dimethyl-2-benzofuran-1-yl]ethyl-methyl-amino]propanoic acid Openeye Name: 2-[2-[1-(4-fluorophenyl)-3,3-dimethyl-isobenzofuran-1-yl]ethyl-methyl-amino]propanoic acid CAS Name: 2-[2-[1-(4-fluorophenyl)-3,3-dimethyl-1-isobenzofuranyl]ethyl-methylamino]propanoic acid IUPAC Name: 2-[2-[1-(4-fluorophenyl)-3,3-dimethyl-2-benzofuran-1-yl]ethyl-methylamino]propanoic acid Traditional Name: 2-[2-[1-(4-fluorophenyl)-3,3-dimethyl-phthalan-1-yl]ethyl-methyl-amino]propionic acid Formula: C22H26FNO3 MolecularWeight: 371.445143

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N(C)CCC1(C2=CC=CC=C2C(O1)(C)C)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C(=O)O)N(C)CCC1(C2=CC=CC=C2C(O1)(C)C)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H26FNO3/c1-15(20(25)26)24(4)14-13-22(16-9-11-17(23)12-10-16)19-8-6-5-7-18(19)21(2,3)27-22/h5-12,15H,13-14H2,1-4H3,(H,25,26)