3-[(2,4-dimethylphenyl)-propanoyl-amino]propanoic acid

Systemtic Name: 3-[(2,4-dimethylphenyl)-propanoyl-amino]propanoic acid Openeye Name: 3-(2,4-dimethyl-N-propanoyl-anilino)propanoic acid CAS Name: 3-[2,4-dimethyl-N-(1-oxopropyl)anilino]propanoic acid IUPAC Name: 3-(2,4-dimethyl-N-propanoylanilino)propanoic acid Traditional Name: 3-(2,4-dimethyl-N-propionyl-anilino)propionic acid Formula: C14H19NO3 MolecularWeight: 249.30556

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(CCC(=O)O)C1=C(C=C(C=C1)C)C

Isomeric SMILES

CCC(=O)N(CCC(=O)O)C1=C(C=C(C=C1)C)C

InChI

InChI=1S/C14H19NO3/c1-4-13(16)15(8-7-14(17)18)12-6-5-10(2)9-11(12)3/h5-6,9H,4,7-8H2,1-3H3,(H,17,18)