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

Systemtic Name: [2-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-4-fluoranyl-phenyl] 2-bromanylbenzoate Openeye Name: [2-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-4-fluoro-phenyl] 2-bromobenzoate CAS Name: 2-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] 2-bromobenzoate Traditional Name: 2-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=CC=C3Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)C2=C(C=CC(=C2)F)OC(=O)C3=CC=CC=C3Br)OC

InChI

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