3,3-dimethyl-4-oxidanylidene-4-[[3-(propanoylamino)phenyl]amino]butanoic acid

Systemtic Name: 3,3-dimethyl-4-oxidanylidene-4-[[3-(propanoylamino)phenyl]amino]butanoic acid Openeye Name: 3,3-dimethyl-4-oxo-4-[3-(propanoylamino)anilino]butanoic acid CAS Name: 3,3-dimethyl-4-oxo-4-[3-(1-oxopropylamino)anilino]butanoic acid IUPAC Name: 3,3-dimethyl-4-oxo-4-[3-(propanoylamino)anilino]butanoic acid Traditional Name: 4-keto-3,3-dimethyl-4-(3-propionamidoanilino)butyric acid Formula: C15H20N2O4 MolecularWeight: 292.3303

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N2O4/c1-4-12(18)16-10-6-5-7-11(8-10)17-14(21)15(2,3)9-13(19)20/h5-8H,4,9H2,1-3H3,(H,16,18)(H,17,21)(H,19,20)