methyl (2S)-3-(3-ethanoyl-4-oxidanyl-phenyl)-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: methyl (2S)-3-(3-ethanoyl-4-oxidanyl-phenyl)-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: methyl (2S)-3-(3-acetyl-4-hydroxy-phenyl)-2-(benzyloxycarbonylamino)propanoate CAS Name: (2S)-3-(3-acetyl-4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoic acid methyl ester IUPAC Name: methyl (2S)-3-(3-acetyl-4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: (2S)-3-(3-acetyl-4-hydroxy-phenyl)-2-(benzyloxycarbonylamino)propionic acid methyl ester Formula: C20H21NO6 MolecularWeight: 371.38384

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=CC(=C1)CC(C(=O)OC)NC(=O)OCC2=CC=CC=C2)O

Isomeric SMILES

CC(=O)C1=C(C=CC(=C1)C[C@@H](C(=O)OC)NC(=O)OCC2=CC=CC=C2)O

InChI

InChI=1S/C20H21NO6/c1-13(22)16-10-15(8-9-18(16)23)11-17(19(24)26-2)21-20(25)27-12-14-6-4-3-5-7-14/h3-10,17,23H,11-12H2,1-2H3,(H,21,25)/t17-/m0/s1