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

Systemtic Name: 3-methyl-2-[4-(3-oxidanylidenebutanoylamino)phenyl]butanoic acid Openeye Name: 3-methyl-2-[4-(3-oxobutanoylamino)phenyl]butanoic acid CAS Name: 2-[4-(1,3-dioxobutylamino)phenyl]-3-methylbutanoic acid IUPAC Name: 3-methyl-2-[4-(3-oxobutanoylamino)phenyl]butanoic acid Traditional Name: 2-[4-(acetoacetylamino)phenyl]-3-methyl-butyric acid Formula: C15H19NO4 MolecularWeight: 277.31566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19NO4/c1-9(2)14(15(19)20)11-4-6-12(7-5-11)16-13(18)8-10(3)17/h4-7,9,14H,8H2,1-3H3,(H,16,18)(H,19,20)