[2-(4-bromophenyl)-2-oxidanylidene-ethyl] 3-(3,4,5-trimethoxyphenyl)propanoate

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 3-(3,4,5-trimethoxyphenyl)propanoate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] 3-(3,4,5-trimethoxyphenyl)propanoate CAS Name: 3-(3,4,5-trimethoxyphenyl)propanoic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate Traditional Name: 3-(3,4,5-trimethoxyphenyl)propionic acid [2-(4-bromophenyl)-2-keto-ethyl] ester Formula: C20H21BrO6 MolecularWeight: 437.28114

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CCC(=O)OCC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CCC(=O)OCC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C20H21BrO6/c1-24-17-10-13(11-18(25-2)20(17)26-3)4-9-19(23)27-12-16(22)14-5-7-15(21)8-6-14/h5-8,10-11H,4,9,12H2,1-3H3