[2-(2,5-dimethoxyphenyl)-2-oxidanylidene-ethyl] 3-bromanyl-5-methoxy-4-propoxy-benzoate

Systemtic Name: [2-(2,5-dimethoxyphenyl)-2-oxidanylidene-ethyl] 3-bromanyl-5-methoxy-4-propoxy-benzoate Openeye Name: [2-(2,5-dimethoxyphenyl)-2-oxo-ethyl] 3-bromo-5-methoxy-4-propoxy-benzoate CAS Name: 3-bromo-5-methoxy-4-propoxybenzoic acid [2-(2,5-dimethoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 3-bromo-5-methoxy-4-propoxybenzoate Traditional Name: 3-bromo-5-methoxy-4-propoxy-benzoic acid [2-(2,5-dimethoxyphenyl)-2-keto-ethyl] ester Formula: C21H23BrO7 MolecularWeight: 467.30712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Br)C(=O)OCC(=O)C2=C(C=CC(=C2)OC)OC)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Br)C(=O)OCC(=O)C2=C(C=CC(=C2)OC)OC)OC

InChI

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