2-acetamido-3-[2,4,6-trimethyl-3-(1-oxidanyl-1-oxidanylidene-propan-2-yl)phenyl]propanoic acid

Systemtic Name: 2-acetamido-3-[2,4,6-trimethyl-3-(1-oxidanyl-1-oxidanylidene-propan-2-yl)phenyl]propanoic acid Openeye Name: 2-acetamido-3-[3-(2-hydroxy-1-methyl-2-oxo-ethyl)-2,4,6-trimethyl-phenyl]propanoic acid CAS Name: 2-acetamido-3-[3-(1-hydroxy-1-oxopropan-2-yl)-2,4,6-trimethylphenyl]propanoic acid IUPAC Name: 2-acetamido-3-[3-(1-hydroxy-1-oxopropan-2-yl)-2,4,6-trimethylphenyl]propanoic acid Traditional Name: 2-acetamido-3-[3-(2-hydroxy-2-keto-1-methyl-ethyl)-2,4,6-trimethyl-phenyl]propionic acid Formula: C17H23NO5 MolecularWeight: 321.36822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1CC(C(=O)O)NC(=O)C)C)C(C)C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C(=C1CC(C(=O)O)NC(=O)C)C)C(C)C(=O)O)C

InChI

InChI=1S/C17H23NO5/c1-8-6-9(2)15(11(4)16(20)21)10(3)13(8)7-14(17(22)23)18-12(5)19/h6,11,14H,7H2,1-5H3,(H,18,19)(H,20,21)(H,22,23)