3-[(3,5-dimethylphenyl)-ethanoyl-amino]propanoate

Systemtic Name: 3-[(3,5-dimethylphenyl)-ethanoyl-amino]propanoate Openeye Name: 3-(N-acetyl-3,5-dimethyl-anilino)propanoate CAS Name: 3-(N-acetyl-3,5-dimethylanilino)propanoate IUPAC Name: 3-(N-acetyl-3,5-dimethylanilino)propanoate Traditional Name: 3-(N-acetyl-3,5-dimethyl-anilino)propionate Formula: C13H16NO3- MolecularWeight: 234.27104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N(CCC(=O)[O-])C(=O)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)N(CCC(=O)[O-])C(=O)C)C

InChI

InChI=1S/C13H17NO3/c1-9-6-10(2)8-12(7-9)14(11(3)15)5-4-13(16)17/h6-8H,4-5H2,1-3H3,(H,16,17)/p-1