(2S)-2-acetamido-3-(4-acetyloxyphenyl)propanoate

Systemtic Name: (2S)-2-acetamido-3-(4-acetyloxyphenyl)propanoate Openeye Name: (2S)-2-acetamido-3-(4-acetoxyphenyl)propanoate CAS Name: (2S)-2-acetamido-3-(4-acetyloxyphenyl)propanoate IUPAC Name: (2S)-2-acetamido-3-(4-acetyloxyphenyl)propanoate Traditional Name: (2S)-2-acetamido-3-(4-acetoxyphenyl)propionate Formula: C13H14NO5- MolecularWeight: 264.25396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO5/c1-8(15)14-12(13(17)18)7-10-3-5-11(6-4-10)19-9(2)16/h3-6,12H,7H2,1-2H3,(H,14,15)(H,17,18)/p-1/t12-/m0/s1