diethyl 2-acetamido-2-[1-(3,4-dimethoxy-2-oxidanyl-phenyl)-1-oxidanyl-propan-2-yl]propanedioate

Systemtic Name: diethyl 2-acetamido-2-[1-(3,4-dimethoxy-2-oxidanyl-phenyl)-1-oxidanyl-propan-2-yl]propanedioate Openeye Name: diethyl 2-acetamido-2-[2-hydroxy-2-(2-hydroxy-3,4-dimethoxy-phenyl)-1-methyl-ethyl]propanedioate CAS Name: 2-acetamido-2-[1-hydroxy-1-(2-hydroxy-3,4-dimethoxyphenyl)propan-2-yl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-acetamido-2-[1-hydroxy-1-(2-hydroxy-3,4-dimethoxyphenyl)propan-2-yl]propanedioate Traditional Name: 2-acetamido-2-[2-hydroxy-2-(2-hydroxy-3,4-dimethoxy-phenyl)-1-methyl-ethyl]malonic acid diethyl ester Formula: C20H29NO9 MolecularWeight: 427.44556

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C)C(C1=C(C(=C(C=C1)OC)OC)O)O)(C(=O)OCC)NC(=O)C

Isomeric SMILES

CCOC(=O)C(C(C)C(C1=C(C(=C(C=C1)OC)OC)O)O)(C(=O)OCC)NC(=O)C

InChI

InChI=1S/C20H29NO9/c1-7-29-18(25)20(21-12(4)22,19(26)30-8-2)11(3)15(23)13-9-10-14(27-5)17(28-6)16(13)24/h9-11,15,23-24H,7-8H2,1-6H3,(H,21,22)