diethyl 2-(1-bromanyl-2-oxidanylidene-2-phenyl-ethyl)-2-(phenylmethyl)propanedioate

Systemtic Name: diethyl 2-(1-bromanyl-2-oxidanylidene-2-phenyl-ethyl)-2-(phenylmethyl)propanedioate Openeye Name: diethyl 2-benzyl-2-(1-bromo-2-oxo-2-phenyl-ethyl)propanedioate CAS Name: 2-(1-bromo-2-oxo-2-phenylethyl)-2-(phenylmethyl)propanedioic acid diethyl ester IUPAC Name: diethyl 2-benzyl-2-(1-bromo-2-oxo-2-phenylethyl)propanedioate Traditional Name: 2-benzyl-2-(1-bromo-2-keto-2-phenyl-ethyl)malonic acid diethyl ester Formula: C22H23BrO5 MolecularWeight: 447.31902

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1)(C(C(=O)C2=CC=CC=C2)Br)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(CC1=CC=CC=C1)(C(C(=O)C2=CC=CC=C2)Br)C(=O)OCC

InChI

InChI=1S/C22H23BrO5/c1-3-27-20(25)22(21(26)28-4-2,15-16-11-7-5-8-12-16)19(23)18(24)17-13-9-6-10-14-17/h5-14,19H,3-4,15H2,1-2H3