(phenylmethyl) 3-(2-chloranylethanoyloxy)-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: (phenylmethyl) 3-(2-chloranylethanoyloxy)-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: benzyl 2-(benzyloxycarbonylamino)-3-(2-chloroacetyl)oxy-propanoate CAS Name: 3-(2-chloro-1-oxoethoxy)-2-(phenylmethoxycarbonylamino)propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-(2-chloroacetyl)oxy-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-(2-chloroacetyl)oxy-propionic acid benzyl ester Formula: C20H20ClNO6 MolecularWeight: 405.8289

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C(COC(=O)CCl)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C(COC(=O)CCl)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C20H20ClNO6/c21-11-18(23)26-14-17(19(24)27-12-15-7-3-1-4-8-15)22-20(25)28-13-16-9-5-2-6-10-16/h1-10,17H,11-14H2,(H,22,25)