ethyl (2S)-2-acetamido-3-(4-hydroxyphenyl)propanoate hydrate

Systemtic Name: ethyl (2S)-2-acetamido-3-(4-hydroxyphenyl)propanoate hydrate Openeye Name: ethyl (2S)-2-acetamido-3-(4-hydroxyphenyl)propanoate hydrate CAS Name: (2S)-2-acetamido-3-(4-hydroxyphenyl)propanoic acid ethyl ester hydrate IUPAC Name: ethyl (2S)-2-acetamido-3-(4-hydroxyphenyl)propanoate hydrate Traditional Name: (2S)-2-acetamido-3-(4-hydroxyphenyl)propionic acid ethyl ester hydrate Formula: C13H19NO5 MolecularWeight: 269.29366

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C.O

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO4.H2O/c1-3-18-13(17)12(14-9(2)15)8-10-4-6-11(16)7-5-10;/h4-7,12,16H,3,8H2,1-2H3,(H,14,15);1H2/t12-;/m0./s1