2-methyl-2-[4-(3-oxidanylidenebutanoylamino)phenyl]propanoic acid

Systemtic Name: 2-methyl-2-[4-(3-oxidanylidenebutanoylamino)phenyl]propanoic acid Openeye Name: 2-methyl-2-[4-(3-oxobutanoylamino)phenyl]propanoic acid CAS Name: 2-[4-(1,3-dioxobutylamino)phenyl]-2-methylpropanoic acid IUPAC Name: 2-methyl-2-[4-(3-oxobutanoylamino)phenyl]propanoic acid Traditional Name: 2-[4-(acetoacetylamino)phenyl]-2-methyl-propionic acid Formula: C14H17NO4 MolecularWeight: 263.28908

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)NC1=CC=C(C=C1)C(C)(C)C(=O)O

Isomeric SMILES

CC(=O)CC(=O)NC1=CC=C(C=C1)C(C)(C)C(=O)O

InChI

InChI=1S/C14H17NO4/c1-9(16)8-12(17)15-11-6-4-10(5-7-11)14(2,3)13(18)19/h4-7H,8H2,1-3H3,(H,15,17)(H,18,19)