ethyl 5-bromanyl-2-oxidanyl-3-[3-oxidanylidene-3-(3-propan-2-yloxyphenyl)propanoyl]benzoate

Systemtic Name: ethyl 5-bromanyl-2-oxidanyl-3-[3-oxidanylidene-3-(3-propan-2-yloxyphenyl)propanoyl]benzoate Openeye Name: ethyl 5-bromo-2-hydroxy-3-[3-(3-isopropoxyphenyl)-3-oxo-propanoyl]benzoate CAS Name: 5-bromo-3-[1,3-dioxo-3-(3-propan-2-yloxyphenyl)propyl]-2-hydroxybenzoic acid ethyl ester IUPAC Name: ethyl 5-bromo-2-hydroxy-3-[3-oxo-3-(3-propan-2-yloxyphenyl)propanoyl]benzoate Traditional Name: 5-bromo-2-hydroxy-3-[3-(3-isopropoxyphenyl)-3-keto-propanoyl]benzoic acid ethyl ester Formula: C21H21BrO6 MolecularWeight: 449.29184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=CC(=C1)Br)C(=O)CC(=O)C2=CC(=CC=C2)OC(C)C)O

Isomeric SMILES

CCOC(=O)C1=C(C(=CC(=C1)Br)C(=O)CC(=O)C2=CC(=CC=C2)OC(C)C)O

InChI

InChI=1S/C21H21BrO6/c1-4-27-21(26)17-10-14(22)9-16(20(17)25)19(24)11-18(23)13-6-5-7-15(8-13)28-12(2)3/h5-10,12,25H,4,11H2,1-3H3