[5-(2-bromanylethanoyl)-2-(3-methylbutanoyloxy)phenyl]methyl 3-methylbutanoate

Systemtic Name: [5-(2-bromanylethanoyl)-2-(3-methylbutanoyloxy)phenyl]methyl 3-methylbutanoate Openeye Name: [5-(2-bromoacetyl)-2-(3-methylbutanoyloxy)phenyl]methyl 3-methylbutanoate CAS Name: 3-methylbutanoic acid [5-(2-bromo-1-oxoethyl)-2-(3-methyl-1-oxobutoxy)phenyl]methyl ester IUPAC Name: [5-(2-bromoacetyl)-2-(3-methylbutanoyloxy)phenyl]methyl 3-methylbutanoate Traditional Name: 3-methylbutyric acid [5-(2-bromoacetyl)-2-isovaleryloxy-benzyl] ester Formula: C19H25BrO5 MolecularWeight: 413.3028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)OCC1=C(C=CC(=C1)C(=O)CBr)OC(=O)CC(C)C

Isomeric SMILES

CC(C)CC(=O)OCC1=C(C=CC(=C1)C(=O)CBr)OC(=O)CC(C)C

InChI

InChI=1S/C19H25BrO5/c1-12(2)7-18(22)24-11-15-9-14(16(21)10-20)5-6-17(15)25-19(23)8-13(3)4/h5-6,9,12-13H,7-8,10-11H2,1-4H3