[2-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-4-fluoranyl-phenyl] 4-bromanylbenzoate

Systemtic Name: [2-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-4-fluoranyl-phenyl] 4-bromanylbenzoate Openeye Name: [2-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-4-fluoro-phenyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [2-[(E)-3-(3,4-dimethoxyphenyl)-1-oxoprop-2-enyl]-4-fluorophenyl] ester IUPAC Name: [2-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-4-fluorophenyl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [2-[(E)-3-(3,4-dimethoxyphenyl)acryloyl]-4-fluoro-phenyl] ester Formula: C24H18BrFO5 MolecularWeight: 485.299123

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)C2=C(C=CC(=C2)F)OC(=O)C3=CC=C(C=C3)Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)C2=C(C=CC(=C2)F)OC(=O)C3=CC=C(C=C3)Br)OC

InChI

InChI=1S/C24H18BrFO5/c1-29-22-11-4-15(13-23(22)30-2)3-10-20(27)19-14-18(26)9-12-21(19)31-24(28)16-5-7-17(25)8-6-16/h3-14H,1-2H3/b10-3+