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

Systemtic Name: 2-[[5-(4-chlorophenyl)-1-benzofuran-2-yl]methoxycarbonylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[5-(4-chlorophenyl)benzofuran-2-yl]methoxycarbonylamino]-3-phenyl-propanoic acid CAS Name: 2-[[[5-(4-chlorophenyl)-2-benzofuranyl]methoxy-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[5-(4-chlorophenyl)-1-benzofuran-2-yl]methoxycarbonylamino]-3-phenylpropanoic acid Traditional Name: 2-[[5-(4-chlorophenyl)benzofuran-2-yl]methoxycarbonylamino]-3-phenyl-propionic acid Formula: C25H20ClNO5 MolecularWeight: 449.883

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)OCC2=CC3=C(O2)C=CC(=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)OCC2=CC3=C(O2)C=CC(=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H20ClNO5/c26-20-9-6-17(7-10-20)18-8-11-23-19(13-18)14-21(32-23)15-31-25(30)27-22(24(28)29)12-16-4-2-1-3-5-16/h1-11,13-14,22H,12,15H2,(H,27,30)(H,28,29)