3-[4-(2-cyanophenyl)phenyl]-2-[(5-oxidanylideneoxolan-2-yl)carbonylamino]propanoic acid

Systemtic Name: 3-[4-(2-cyanophenyl)phenyl]-2-[(5-oxidanylideneoxolan-2-yl)carbonylamino]propanoic acid Openeye Name: 3-[4-(2-cyanophenyl)phenyl]-2-[(5-oxotetrahydrofuran-2-carbonyl)amino]propanoic acid CAS Name: 3-[4-(2-cyanophenyl)phenyl]-2-[[oxo-(5-oxo-2-oxolanyl)methyl]amino]propanoic acid IUPAC Name: 3-[4-(2-cyanophenyl)phenyl]-2-[(5-oxooxolane-2-carbonyl)amino]propanoic acid Traditional Name: 3-[4-(2-cyanophenyl)phenyl]-2-[(5-ketotetrahydrofuran-2-carbonyl)amino]propionic acid Formula: C21H18N2O5 MolecularWeight: 378.37802

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)OC1C(=O)NC(CC2=CC=C(C=C2)C3=CC=CC=C3C#N)C(=O)O

Isomeric SMILES

C1CC(=O)OC1C(=O)NC(CC2=CC=C(C=C2)C3=CC=CC=C3C#N)C(=O)O

InChI

InChI=1S/C21H18N2O5/c22-12-15-3-1-2-4-16(15)14-7-5-13(6-8-14)11-17(21(26)27)23-20(25)18-9-10-19(24)28-18/h1-8,17-18H,9-11H2,(H,23,25)(H,26,27)