3-[(3,5-dimethylphenyl)-propanoyl-amino]propanoic acid

Systemtic Name: 3-[(3,5-dimethylphenyl)-propanoyl-amino]propanoic acid Openeye Name: 3-(3,5-dimethyl-N-propanoyl-anilino)propanoic acid CAS Name: 3-[3,5-dimethyl-N-(1-oxopropyl)anilino]propanoic acid IUPAC Name: 3-(3,5-dimethyl-N-propanoylanilino)propanoic acid Traditional Name: 3-(3,5-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=CC(=CC(=C1)C)C

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO3/c1-4-13(16)15(6-5-14(17)18)12-8-10(2)7-11(3)9-12/h7-9H,4-6H2,1-3H3,(H,17,18)