dimethyl 2-[1-[[(4-bromophenyl)-diethoxyphosphoryl-methyl]amino]-2-methyl-propan-2-yl]propanedioate

Systemtic Name: dimethyl 2-[1-[[(4-bromophenyl)-diethoxyphosphoryl-methyl]amino]-2-methyl-propan-2-yl]propanedioate Openeye Name: dimethyl 2-[2-[[(4-bromophenyl)-diethoxyphosphoryl-methyl]amino]-1,1-dimethyl-ethyl]propanedioate CAS Name: 2-[1-[[(4-bromophenyl)-diethoxyphosphorylmethyl]amino]-2-methylpropan-2-yl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[1-[[(4-bromophenyl)-diethoxyphosphorylmethyl]amino]-2-methylpropan-2-yl]propanedioate Traditional Name: 2-[2-[[(4-bromophenyl)-diethoxyphosphoryl-methyl]amino]-1,1-dimethyl-ethyl]malonic acid dimethyl ester Formula: C20H31BrNO7P MolecularWeight: 508.340401

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(C1=CC=C(C=C1)Br)NCC(C)(C)C(C(=O)OC)C(=O)OC)OCC

Isomeric SMILES

CCOP(=O)(C(C1=CC=C(C=C1)Br)NCC(C)(C)C(C(=O)OC)C(=O)OC)OCC

InChI

InChI=1S/C20H31BrNO7P/c1-7-28-30(25,29-8-2)17(14-9-11-15(21)12-10-14)22-13-20(3,4)16(18(23)26-5)19(24)27-6/h9-12,16-17,22H,7-8,13H2,1-6H3