methyl 2-bromanyl-4-[(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)methyl]benzoate

Systemtic Name: methyl 2-bromanyl-4-[(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)methyl]benzoate Openeye Name: methyl 4-[(4-acetyl-3-hydroxy-2-propyl-phenoxy)methyl]-2-bromo-benzoate CAS Name: 4-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]-2-bromobenzoic acid methyl ester IUPAC Name: methyl 4-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]-2-bromobenzoate Traditional Name: 4-[(4-acetyl-3-hydroxy-2-propyl-phenoxy)methyl]-2-bromo-benzoic acid methyl ester Formula: C20H21BrO5 MolecularWeight: 421.28174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCC2=CC(=C(C=C2)C(=O)OC)Br

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCC2=CC(=C(C=C2)C(=O)OC)Br

InChI

InChI=1S/C20H21BrO5/c1-4-5-16-18(9-8-14(12(2)22)19(16)23)26-11-13-6-7-15(17(21)10-13)20(24)25-3/h6-10,23H,4-5,11H2,1-3H3