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

Systemtic Name: 3-[4-(3-oxidanylidenebutanoylamino)phenyl]propanoic acid Openeye Name: 3-[4-(3-oxobutanoylamino)phenyl]propanoic acid CAS Name: 3-[4-(1,3-dioxobutylamino)phenyl]propanoic acid IUPAC Name: 3-[4-(3-oxobutanoylamino)phenyl]propanoic acid Traditional Name: 3-[4-(acetoacetylamino)phenyl]propionic acid Formula: C13H15NO4 MolecularWeight: 249.2625

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO4/c1-9(15)8-12(16)14-11-5-2-10(3-6-11)4-7-13(17)18/h2-3,5-6H,4,7-8H2,1H3,(H,14,16)(H,17,18)