(3S)-4-(4-acetamidophenyl)-3-methyl-4-oxidanylidene-butanoic acid

Systemtic Name: (3S)-4-(4-acetamidophenyl)-3-methyl-4-oxidanylidene-butanoic acid Openeye Name: (3S)-4-(4-acetamidophenyl)-3-methyl-4-oxo-butanoic acid CAS Name: (3S)-4-(4-acetamidophenyl)-3-methyl-4-oxobutanoic acid IUPAC Name: (3S)-4-(4-acetamidophenyl)-3-methyl-4-oxobutanoic acid Traditional Name: (3S)-4-(4-acetamidophenyl)-4-keto-3-methyl-butyric acid Formula: C13H15NO4 MolecularWeight: 249.2625

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)C(=O)C1=CC=C(C=C1)NC(=O)C

Isomeric SMILES

C[C@@H](CC(=O)O)C(=O)C1=CC=C(C=C1)NC(=O)C

InChI

InChI=1S/C13H15NO4/c1-8(7-12(16)17)13(18)10-3-5-11(6-4-10)14-9(2)15/h3-6,8H,7H2,1-2H3,(H,14,15)(H,16,17)/t8-/m0/s1