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

Systemtic Name: 2-[3-[3,3-diethyl-1-(4-fluorophenyl)-2-benzofuran-1-yl]propyl-methyl-amino]propanoic acid Openeye Name: 2-[3-[3,3-diethyl-1-(4-fluorophenyl)isobenzofuran-1-yl]propyl-methyl-amino]propanoic acid CAS Name: 2-[3-[3,3-diethyl-1-(4-fluorophenyl)-1-isobenzofuranyl]propyl-methylamino]propanoic acid IUPAC Name: 2-[3-[3,3-diethyl-1-(4-fluorophenyl)-2-benzofuran-1-yl]propyl-methylamino]propanoic acid Traditional Name: 2-[3-[3,3-diethyl-1-(4-fluorophenyl)phthalan-1-yl]propyl-methyl-amino]propionic acid Formula: C25H32FNO3 MolecularWeight: 413.524883

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32FNO3/c1-5-24(6-2)21-10-7-8-11-22(21)25(30-24,19-12-14-20(26)15-13-19)16-9-17-27(4)18(3)23(28)29/h7-8,10-15,18H,5-6,9,16-17H2,1-4H3,(H,28,29)