3,6-dimethyl-1,4-dioxane-2,5-dione; 2-hydroxyethyl 3-oxidanyl-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: 3,6-dimethyl-1,4-dioxane-2,5-dione; 2-hydroxyethyl 3-oxidanyl-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: 3,6-dimethyl-1,4-dioxane-2,5-dione; 2-hydroxyethyl 2-(benzyloxycarbonylamino)-3-hydroxy-propanoate CAS Name: 3,6-dimethyl-1,4-dioxane-2,5-dione; 3-hydroxy-2-(phenylmethoxycarbonylamino)propanoic acid 2-hydroxyethyl ester IUPAC Name: 3,6-dimethyl-1,4-dioxane-2,5-dione; 2-hydroxyethyl 3-hydroxy-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-hydroxy-propionic acid 2-hydroxyethyl ester; 3,6-dimethyl-1,4-dioxane-2,5-quinone Formula: C19H25NO10 MolecularWeight: 427.4025

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)OC(C(=O)O1)C.C1=CC=C(C=C1)COC(=O)NC(CO)C(=O)OCCO

Isomeric SMILES

CC1C(=O)OC(C(=O)O1)C.C1=CC=C(C=C1)COC(=O)NC(CO)C(=O)OCCO

InChI

InChI=1S/C13H17NO6.C6H8O4/c15-6-7-19-12(17)11(8-16)14-13(18)20-9-10-4-2-1-3-5-10;1-3-5(7)10-4(2)6(8)9-3/h1-5,11,15-16H,6-9H2,(H,14,18);3-4H,1-2H3