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

Systemtic Name: [2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] 3-bromanyl-5-methoxy-4-propoxy-benzoate Openeye Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 3-bromo-5-methoxy-4-propoxy-benzoate CAS Name: 3-bromo-5-methoxy-4-propoxybenzoic acid [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 3-bromo-5-methoxy-4-propoxybenzoate Traditional Name: 3-bromo-5-methoxy-4-propoxy-benzoic acid [2-keto-2-(2,4,5-trimethylphenyl)ethyl] ester Formula: C22H25BrO5 MolecularWeight: 449.3349

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Br)C(=O)OCC(=O)C2=CC(=C(C=C2C)C)C)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Br)C(=O)OCC(=O)C2=CC(=C(C=C2C)C)C)OC

InChI

InChI=1S/C22H25BrO5/c1-6-7-27-21-18(23)10-16(11-20(21)26-5)22(25)28-12-19(24)17-9-14(3)13(2)8-15(17)4/h8-11H,6-7,12H2,1-5H3