methyl (2S)-2-acetamido-3-(3,5-dimethylphenyl)propanoate

Systemtic Name: methyl (2S)-2-acetamido-3-(3,5-dimethylphenyl)propanoate Openeye Name: methyl (2S)-2-acetamido-3-(3,5-dimethylphenyl)propanoate CAS Name: (2S)-2-acetamido-3-(3,5-dimethylphenyl)propanoic acid methyl ester IUPAC Name: methyl (2S)-2-acetamido-3-(3,5-dimethylphenyl)propanoate Traditional Name: (2S)-2-acetamido-3-(3,5-dimethylphenyl)propionic acid methyl ester Formula: C14H19NO3 MolecularWeight: 249.30556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)CC(C(=O)OC)NC(=O)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)C[C@@H](C(=O)OC)NC(=O)C)C

InChI

InChI=1S/C14H19NO3/c1-9-5-10(2)7-12(6-9)8-13(14(17)18-4)15-11(3)16/h5-7,13H,8H2,1-4H3,(H,15,16)/t13-/m0/s1