methyl 3-[2-(3-oxidanylprop-1-ynyl)phenyl]-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: methyl 3-[2-(3-oxidanylprop-1-ynyl)phenyl]-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: methyl 2-(benzyloxycarbonylamino)-3-[2-(3-hydroxyprop-1-ynyl)phenyl]propanoate CAS Name: 3-[2-(3-hydroxyprop-1-ynyl)phenyl]-2-(phenylmethoxycarbonylamino)propanoic acid methyl ester IUPAC Name: methyl 3-[2-(3-hydroxyprop-1-ynyl)phenyl]-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-[2-(3-hydroxyprop-1-ynyl)phenyl]propionic acid methyl ester Formula: C21H21NO5 MolecularWeight: 367.39514

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1C#CCO)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

COC(=O)C(CC1=CC=CC=C1C#CCO)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H21NO5/c1-26-20(24)19(14-18-11-6-5-10-17(18)12-7-13-23)22-21(25)27-15-16-8-3-2-4-9-16/h2-6,8-11,19,23H,13-15H2,1H3,(H,22,25)