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

Systemtic Name: 3-(4-bromophenyl)-2-[(5-phenyl-1-benzofuran-2-yl)methoxycarbonylamino]propanoic acid Openeye Name: 3-(4-bromophenyl)-2-[(5-phenylbenzofuran-2-yl)methoxycarbonylamino]propanoic acid CAS Name: 3-(4-bromophenyl)-2-[[oxo-[(5-phenyl-2-benzofuranyl)methoxy]methyl]amino]propanoic acid IUPAC Name: 3-(4-bromophenyl)-2-[(5-phenyl-1-benzofuran-2-yl)methoxycarbonylamino]propanoic acid Traditional Name: 3-(4-bromophenyl)-2-[(5-phenylbenzofuran-2-yl)methoxycarbonylamino]propionic acid Formula: C25H20BrNO5 MolecularWeight: 494.334

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC3=C(C=C2)OC(=C3)COC(=O)NC(CC4=CC=C(C=C4)Br)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC3=C(C=C2)OC(=C3)COC(=O)NC(CC4=CC=C(C=C4)Br)C(=O)O

InChI

InChI=1S/C25H20BrNO5/c26-20-9-6-16(7-10-20)12-22(24(28)29)27-25(30)31-15-21-14-19-13-18(8-11-23(19)32-21)17-4-2-1-3-5-17/h1-11,13-14,22H,12,15H2,(H,27,30)(H,28,29)