3-[4-(2-cyanophenyl)phenyl]-2-[(2,2-dimethyl-5-oxidanylidene-oxolan-3-yl)carbonylamino]propanoic acid

Systemtic Name: 3-[4-(2-cyanophenyl)phenyl]-2-[(2,2-dimethyl-5-oxidanylidene-oxolan-3-yl)carbonylamino]propanoic acid Openeye Name: 3-[4-(2-cyanophenyl)phenyl]-2-[(2,2-dimethyl-5-oxo-tetrahydrofuran-3-carbonyl)amino]propanoic acid CAS Name: 3-[4-(2-cyanophenyl)phenyl]-2-[[(2,2-dimethyl-5-oxo-3-oxolanyl)-oxomethyl]amino]propanoic acid IUPAC Name: 3-[4-(2-cyanophenyl)phenyl]-2-[(2,2-dimethyl-5-oxooxolane-3-carbonyl)amino]propanoic acid Traditional Name: 3-[4-(2-cyanophenyl)phenyl]-2-[(5-keto-2,2-dimethyl-tetrahydrofuran-3-carbonyl)amino]propionic acid Formula: C23H22N2O5 MolecularWeight: 406.43118

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(CC(=O)O1)C(=O)NC(CC2=CC=C(C=C2)C3=CC=CC=C3C#N)C(=O)O)C

Isomeric SMILES

CC1(C(CC(=O)O1)C(=O)NC(CC2=CC=C(C=C2)C3=CC=CC=C3C#N)C(=O)O)C

InChI

InChI=1S/C23H22N2O5/c1-23(2)18(12-20(26)30-23)21(27)25-19(22(28)29)11-14-7-9-15(10-8-14)17-6-4-3-5-16(17)13-24/h3-10,18-19H,11-12H2,1-2H3,(H,25,27)(H,28,29)