3-acetamido-4-(4-butylphenyl)-2-oxidanyl-4-oxidanylidene-butanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)C(C(C(=O)O)O)NC(=O)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)C(C(C(=O)O)O)NC(=O)C

InChI

InChI=1S/C16H21NO5/c1-3-4-5-11-6-8-12(9-7-11)14(19)13(17-10(2)18)15(20)16(21)22/h6-9,13,15,20H,3-5H2,1-2H3,(H,17,18)(H,21,22)