[2-(3-bromanyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] 3-(3,4,5-trimethoxyphenyl)propanoate

Systemtic Name: [2-(3-bromanyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] 3-(3,4,5-trimethoxyphenyl)propanoate Openeye Name: [2-(3-bromo-4-methoxy-phenyl)-2-oxo-ethyl] 3-(3,4,5-trimethoxyphenyl)propanoate CAS Name: 3-(3,4,5-trimethoxyphenyl)propanoic acid [2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate Traditional Name: 3-(3,4,5-trimethoxyphenyl)propionic acid [2-(3-bromo-4-methoxy-phenyl)-2-keto-ethyl] ester Formula: C21H23BrO7 MolecularWeight: 467.30712

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)COC(=O)CCC2=CC(=C(C(=C2)OC)OC)OC)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)COC(=O)CCC2=CC(=C(C(=C2)OC)OC)OC)Br

InChI

InChI=1S/C21H23BrO7/c1-25-17-7-6-14(11-15(17)22)16(23)12-29-20(24)8-5-13-9-18(26-2)21(28-4)19(10-13)27-3/h6-7,9-11H,5,8,12H2,1-4H3