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

Systemtic Name: 2-[2-[1-(4-fluorophenyl)-3,3-dimethyl-2-benzofuran-1-yl]ethyl-methyl-amino]butanoic acid Openeye Name: 2-[2-[1-(4-fluorophenyl)-3,3-dimethyl-isobenzofuran-1-yl]ethyl-methyl-amino]butanoic acid CAS Name: 2-[2-[1-(4-fluorophenyl)-3,3-dimethyl-1-isobenzofuranyl]ethyl-methylamino]butanoic acid IUPAC Name: 2-[2-[1-(4-fluorophenyl)-3,3-dimethyl-2-benzofuran-1-yl]ethyl-methylamino]butanoic acid Traditional Name: 2-[2-[1-(4-fluorophenyl)-3,3-dimethyl-phthalan-1-yl]ethyl-methyl-amino]butyric acid Formula: C23H28FNO3 MolecularWeight: 385.471723

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28FNO3/c1-5-20(21(26)27)25(4)15-14-23(16-10-12-17(24)13-11-16)19-9-7-6-8-18(19)22(2,3)28-23/h6-13,20H,5,14-15H2,1-4H3,(H,26,27)