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

Systemtic Name: [2-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-4-methyl-phenyl] 2-bromanylbenzoate Openeye Name: [2-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-4-methyl-phenyl] 2-bromobenzoate CAS Name: 2-bromobenzoic acid [2-[(E)-3-(3,4-dimethoxyphenyl)-1-oxoprop-2-enyl]-4-methylphenyl] ester IUPAC Name: [2-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-4-methylphenyl] 2-bromobenzoate Traditional Name: 2-bromobenzoic acid [2-[(E)-3-(3,4-dimethoxyphenyl)acryloyl]-4-methyl-phenyl] ester Formula: C25H21BrO5 MolecularWeight: 481.33524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC(=O)C2=CC=CC=C2Br)C(=O)C=CC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1)OC(=O)C2=CC=CC=C2Br)C(=O)/C=C/C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C25H21BrO5/c1-16-8-12-22(31-25(28)18-6-4-5-7-20(18)26)19(14-16)21(27)11-9-17-10-13-23(29-2)24(15-17)30-3/h4-15H,1-3H3/b11-9+