3-acetamido-4-(4-butan-2-ylphenyl)-2-oxidanyl-4-oxidanylidene-butanoic acid

Systemtic Name: 3-acetamido-4-(4-butan-2-ylphenyl)-2-oxidanyl-4-oxidanylidene-butanoic acid Openeye Name: 3-acetamido-2-hydroxy-4-oxo-4-(4-sec-butylphenyl)butanoic acid CAS Name: 3-acetamido-4-(4-butan-2-ylphenyl)-2-hydroxy-4-oxobutanoic acid IUPAC Name: 3-acetamido-4-(4-butan-2-ylphenyl)-2-hydroxy-4-oxobutanoic acid Traditional Name: 3-acetamido-2-hydroxy-4-keto-4-(4-sec-butylphenyl)butyric acid Formula: C16H21NO5 MolecularWeight: 307.34164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO5/c1-4-9(2)11-5-7-12(8-6-11)14(19)13(17-10(3)18)15(20)16(21)22/h5-9,13,15,20H,4H2,1-3H3,(H,17,18)(H,21,22)