diethyl 2-acetamido-2-[[5-bromanyl-2-(2-diethoxyphosphorylethyl)phenyl]methyl]propanedioate

Systemtic Name: diethyl 2-acetamido-2-[[5-bromanyl-2-(2-diethoxyphosphorylethyl)phenyl]methyl]propanedioate Openeye Name: diethyl 2-acetamido-2-[[5-bromo-2-(2-diethoxyphosphorylethyl)phenyl]methyl]propanedioate CAS Name: 2-acetamido-2-[[5-bromo-2-(2-diethoxyphosphorylethyl)phenyl]methyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-acetamido-2-[[5-bromo-2-(2-diethoxyphosphorylethyl)phenyl]methyl]propanedioate Traditional Name: 2-acetamido-2-[5-bromo-2-(2-diethoxyphosphorylethyl)benzyl]malonic acid diethyl ester Formula: C22H33BrNO8P MolecularWeight: 550.377081

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=C(C=CC(=C1)Br)CCP(=O)(OCC)OCC)(C(=O)OCC)NC(=O)C

Isomeric SMILES

CCOC(=O)C(CC1=C(C=CC(=C1)Br)CCP(=O)(OCC)OCC)(C(=O)OCC)NC(=O)C

InChI

InChI=1S/C22H33BrNO8P/c1-6-29-20(26)22(24-16(5)25,21(27)30-7-2)15-18-14-19(23)11-10-17(18)12-13-33(28,31-8-3)32-9-4/h10-11,14H,6-9,12-13,15H2,1-5H3,(H,24,25)