[2-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-5-methoxy-phenyl] 2-bromanylbenzoate

Systemtic Name: [2-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-5-methoxy-phenyl] 2-bromanylbenzoate Openeye Name: [2-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-5-methoxy-phenyl] 2-bromobenzoate CAS Name: 2-bromobenzoic acid [2-[(E)-3-(3,4-dimethoxyphenyl)-1-oxoprop-2-enyl]-5-methoxyphenyl] ester IUPAC Name: [2-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-5-methoxyphenyl] 2-bromobenzoate Traditional Name: 2-bromobenzoic acid [2-[(E)-3-(3,4-dimethoxyphenyl)acryloyl]-5-methoxy-phenyl] ester Formula: C25H21BrO6 MolecularWeight: 497.33464

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)C=CC2=CC(=C(C=C2)OC)OC)OC(=O)C3=CC=CC=C3Br

Isomeric SMILES

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

InChI

InChI=1S/C25H21BrO6/c1-29-17-10-11-19(23(15-17)32-25(28)18-6-4-5-7-20(18)26)21(27)12-8-16-9-13-22(30-2)24(14-16)31-3/h4-15H,1-3H3/b12-8+