3-(4-bromophenyl)-2-[[5-(4-fluorophenyl)-1-benzofuran-2-yl]methoxycarbonylamino]propanoic acid

Systemtic Name: 3-(4-bromophenyl)-2-[[5-(4-fluorophenyl)-1-benzofuran-2-yl]methoxycarbonylamino]propanoic acid Openeye Name: 3-(4-bromophenyl)-2-[[5-(4-fluorophenyl)benzofuran-2-yl]methoxycarbonylamino]propanoic acid CAS Name: 3-(4-bromophenyl)-2-[[[5-(4-fluorophenyl)-2-benzofuranyl]methoxy-oxomethyl]amino]propanoic acid IUPAC Name: 3-(4-bromophenyl)-2-[[5-(4-fluorophenyl)-1-benzofuran-2-yl]methoxycarbonylamino]propanoic acid Traditional Name: 3-(4-bromophenyl)-2-[[5-(4-fluorophenyl)benzofuran-2-yl]methoxycarbonylamino]propionic acid Formula: C25H19BrFNO5 MolecularWeight: 512.324463

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)O)NC(=O)OCC2=CC3=C(O2)C=CC(=C3)C4=CC=C(C=C4)F)Br

Isomeric SMILES

C1=CC(=CC=C1CC(C(=O)O)NC(=O)OCC2=CC3=C(O2)C=CC(=C3)C4=CC=C(C=C4)F)Br

InChI

InChI=1S/C25H19BrFNO5/c26-19-6-1-15(2-7-19)11-22(24(29)30)28-25(31)32-14-21-13-18-12-17(5-10-23(18)33-21)16-3-8-20(27)9-4-16/h1-10,12-13,22H,11,14H2,(H,28,31)(H,29,30)