dimethyl 2-[(E)-1-bromanyl-4-phenyl-but-1-en-2-yl]-2-(3-oxidanylidenepentyl)propanedioate

Systemtic Name: dimethyl 2-[(E)-1-bromanyl-4-phenyl-but-1-en-2-yl]-2-(3-oxidanylidenepentyl)propanedioate Openeye Name: dimethyl 2-[(1E)-1-(bromomethylene)-3-phenyl-propyl]-2-(3-oxopentyl)propanedioate CAS Name: 2-[(E)-1-bromo-4-phenylbut-1-en-2-yl]-2-(3-oxopentyl)propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(E)-1-bromo-4-phenylbut-1-en-2-yl]-2-(3-oxopentyl)propanedioate Traditional Name: 2-[(E)-2-bromo-1-phenethyl-vinyl]-2-(3-ketopentyl)malonic acid dimethyl ester Formula: C20H25BrO5 MolecularWeight: 425.3135

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)CCC(C(=CBr)CCC1=CC=CC=C1)(C(=O)OC)C(=O)OC

Isomeric SMILES

CCC(=O)CCC(/C(=C/Br)/CCC1=CC=CC=C1)(C(=O)OC)C(=O)OC

InChI

InChI=1S/C20H25BrO5/c1-4-17(22)12-13-20(18(23)25-2,19(24)26-3)16(14-21)11-10-15-8-6-5-7-9-15/h5-9,14H,4,10-13H2,1-3H3/b16-14+