[2-(2,5-diethylphenyl)-2-oxidanylidene-ethyl] (E)-3-(5-bromanyl-2-fluoranyl-phenyl)prop-2-enoate

Systemtic Name: [2-(2,5-diethylphenyl)-2-oxidanylidene-ethyl] (E)-3-(5-bromanyl-2-fluoranyl-phenyl)prop-2-enoate Openeye Name: [2-(2,5-diethylphenyl)-2-oxo-ethyl] (E)-3-(5-bromo-2-fluoro-phenyl)prop-2-enoate CAS Name: (E)-3-(5-bromo-2-fluorophenyl)-2-propenoic acid [2-(2,5-diethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-diethylphenyl)-2-oxoethyl] (E)-3-(5-bromo-2-fluorophenyl)prop-2-enoate Traditional Name: (E)-3-(5-bromo-2-fluoro-phenyl)acrylic acid [2-(2,5-diethylphenyl)-2-keto-ethyl] ester Formula: C21H20BrFO3 MolecularWeight: 419.284103

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)CC)C(=O)COC(=O)C=CC2=C(C=CC(=C2)Br)F

Isomeric SMILES

CCC1=CC(=C(C=C1)CC)C(=O)COC(=O)/C=C/C2=C(C=CC(=C2)Br)F

InChI

InChI=1S/C21H20BrFO3/c1-3-14-5-6-15(4-2)18(11-14)20(24)13-26-21(25)10-7-16-12-17(22)8-9-19(16)23/h5-12H,3-4,13H2,1-2H3/b10-7+