O1-[2-(diethoxyphosphorylmethyl)phenyl] O3-ethyl 2-acetamido-2-propyl-propanedioate

Systemtic Name: O1-[2-(diethoxyphosphorylmethyl)phenyl] O3-ethyl 2-acetamido-2-propyl-propanedioate Openeye Name: O1-[2-(diethoxyphosphorylmethyl)phenyl] O3-ethyl 2-acetamido-2-propyl-propanedioate CAS Name: 2-acetamido-2-propylpropanedioic acid O1-[2-(diethoxyphosphorylmethyl)phenyl] ester O3-ethyl ester IUPAC Name: 1-O-[2-(diethoxyphosphorylmethyl)phenyl] 3-O-ethyl 2-acetamido-2-propylpropanedioate Traditional Name: 2-acetamido-2-propyl-malonic acid O1-[2-(diethoxyphosphorylmethyl)phenyl] ester O3-ethyl ester Formula: C21H32NO8P MolecularWeight: 457.454441

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)OCC)(C(=O)OC1=CC=CC=C1CP(=O)(OCC)OCC)NC(=O)C

Isomeric SMILES

CCCC(C(=O)OCC)(C(=O)OC1=CC=CC=C1CP(=O)(OCC)OCC)NC(=O)C

InChI

InChI=1S/C21H32NO8P/c1-6-14-21(22-16(5)23,19(24)27-7-2)20(25)30-18-13-11-10-12-17(18)15-31(26,28-8-3)29-9-4/h10-13H,6-9,14-15H2,1-5H3,(H,22,23)