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

Systemtic Name: 2-[[5-(3-cyanophenyl)-1-benzofuran-2-yl]methoxycarbonylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[5-(3-cyanophenyl)benzofuran-2-yl]methoxycarbonylamino]-3-phenyl-propanoic acid CAS Name: 2-[[[5-(3-cyanophenyl)-2-benzofuranyl]methoxy-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[5-(3-cyanophenyl)-1-benzofuran-2-yl]methoxycarbonylamino]-3-phenylpropanoic acid Traditional Name: 2-[[5-(3-cyanophenyl)benzofuran-2-yl]methoxycarbonylamino]-3-phenyl-propionic acid Formula: C26H20N2O5 MolecularWeight: 440.4474

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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=CC(=C4)C#N

Isomeric SMILES

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

InChI

InChI=1S/C26H20N2O5/c27-15-18-7-4-8-19(11-18)20-9-10-24-21(13-20)14-22(33-24)16-32-26(31)28-23(25(29)30)12-17-5-2-1-3-6-17/h1-11,13-14,23H,12,16H2,(H,28,31)(H,29,30)