3-[[3-fluoranyl-4-[3-(phenylmethyl)-1-benzofuran-2-yl]phenyl]methylamino]-2-methyl-propanoic acid

Systemtic Name: 3-[[3-fluoranyl-4-[3-(phenylmethyl)-1-benzofuran-2-yl]phenyl]methylamino]-2-methyl-propanoic acid Openeye Name: 3-[[4-(3-benzylbenzofuran-2-yl)-3-fluoro-phenyl]methylamino]-2-methyl-propanoic acid CAS Name: 3-[[3-fluoro-4-[3-(phenylmethyl)-2-benzofuranyl]phenyl]methylamino]-2-methylpropanoic acid IUPAC Name: 3-[[4-(3-benzyl-1-benzofuran-2-yl)-3-fluorophenyl]methylamino]-2-methylpropanoic acid Traditional Name: 3-[[4-(3-benzylbenzofuran-2-yl)-3-fluoro-benzyl]amino]-2-methyl-propionic acid Formula: C26H24FNO3 MolecularWeight: 417.472063

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNCC1=CC(=C(C=C1)C2=C(C3=CC=CC=C3O2)CC4=CC=CC=C4)F)C(=O)O

Isomeric SMILES

CC(CNCC1=CC(=C(C=C1)C2=C(C3=CC=CC=C3O2)CC4=CC=CC=C4)F)C(=O)O

InChI

InChI=1S/C26H24FNO3/c1-17(26(29)30)15-28-16-19-11-12-21(23(27)14-19)25-22(13-18-7-3-2-4-8-18)20-9-5-6-10-24(20)31-25/h2-12,14,17,28H,13,15-16H2,1H3,(H,29,30)