diethyl 2-(benzamidomethyl)-2-(4-bromanylphenoxy)propanedioate

Systemtic Name: diethyl 2-(benzamidomethyl)-2-(4-bromanylphenoxy)propanedioate Openeye Name: diethyl 2-(benzamidomethyl)-2-(4-bromophenoxy)propanedioate CAS Name: 2-(benzamidomethyl)-2-(4-bromophenoxy)propanedioic acid diethyl ester IUPAC Name: diethyl 2-(benzamidomethyl)-2-(4-bromophenoxy)propanedioate Traditional Name: 2-(benzamidomethyl)-2-(4-bromophenoxy)malonic acid diethyl ester Formula: C21H22BrNO6 MolecularWeight: 464.30648

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CNC(=O)C1=CC=CC=C1)(C(=O)OCC)OC2=CC=C(C=C2)Br

Isomeric SMILES

CCOC(=O)C(CNC(=O)C1=CC=CC=C1)(C(=O)OCC)OC2=CC=C(C=C2)Br

InChI

InChI=1S/C21H22BrNO6/c1-3-27-19(25)21(20(26)28-4-2,29-17-12-10-16(22)11-13-17)14-23-18(24)15-8-6-5-7-9-15/h5-13H,3-4,14H2,1-2H3,(H,23,24)