4-(2-acetamido-4,5-dimethyl-phenoxy)-4-oxidanylidene-butanoic acid

Systemtic Name: 4-(2-acetamido-4,5-dimethyl-phenoxy)-4-oxidanylidene-butanoic acid Openeye Name: 4-(2-acetamido-4,5-dimethyl-phenoxy)-4-oxo-butanoic acid CAS Name: 4-(2-acetamido-4,5-dimethylphenoxy)-4-oxobutanoic acid IUPAC Name: 4-(2-acetamido-4,5-dimethylphenoxy)-4-oxobutanoic acid Traditional Name: 4-(2-acetamido-4,5-dimethyl-phenoxy)-4-keto-butyric acid Formula: C14H17NO5 MolecularWeight: 279.28848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)OC(=O)CCC(=O)O)NC(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1C)OC(=O)CCC(=O)O)NC(=O)C

InChI

InChI=1S/C14H17NO5/c1-8-6-11(15-10(3)16)12(7-9(8)2)20-14(19)5-4-13(17)18/h6-7H,4-5H2,1-3H3,(H,15,16)(H,17,18)