diethyl 2-[(Z)-4-bromanylbut-2-enyl]-2-[(3-fluorophenyl)methyl]propanedioate

Systemtic Name: diethyl 2-[(Z)-4-bromanylbut-2-enyl]-2-[(3-fluorophenyl)methyl]propanedioate Openeye Name: diethyl 2-[(Z)-4-bromobut-2-enyl]-2-[(3-fluorophenyl)methyl]propanedioate CAS Name: 2-[(Z)-4-bromobut-2-enyl]-2-[(3-fluorophenyl)methyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(Z)-4-bromobut-2-enyl]-2-[(3-fluorophenyl)methyl]propanedioate Traditional Name: 2-[(Z)-4-bromobut-2-enyl]-2-(3-fluorobenzyl)malonic acid diethyl ester Formula: C18H22BrFO4 MolecularWeight: 401.267283

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC=CCBr)(CC1=CC(=CC=C1)F)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C/C=C\CBr)(CC1=CC(=CC=C1)F)C(=O)OCC

InChI

InChI=1S/C18H22BrFO4/c1-3-23-16(21)18(10-5-6-11-19,17(22)24-4-2)13-14-8-7-9-15(20)12-14/h5-9,12H,3-4,10-11,13H2,1-2H3/b6-5-