[4-(2-bromanylethanoyl)-2-(2,2-dimethylpropanoyloxymethyl)phenyl] 3-methylbenzoate

Systemtic Name: [4-(2-bromanylethanoyl)-2-(2,2-dimethylpropanoyloxymethyl)phenyl] 3-methylbenzoate Openeye Name: [4-(2-bromoacetyl)-2-(2,2-dimethylpropanoyloxymethyl)phenyl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [4-(2-bromo-1-oxoethyl)-2-[(2,2-dimethyl-1-oxopropoxy)methyl]phenyl] ester IUPAC Name: [4-(2-bromoacetyl)-2-(2,2-dimethylpropanoyloxymethyl)phenyl] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [4-(2-bromoacetyl)-2-(pivaloyloxymethyl)phenyl] ester Formula: C22H23BrO5 MolecularWeight: 447.31902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)OC2=C(C=C(C=C2)C(=O)CBr)COC(=O)C(C)(C)C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)OC2=C(C=C(C=C2)C(=O)CBr)COC(=O)C(C)(C)C

InChI

InChI=1S/C22H23BrO5/c1-14-6-5-7-16(10-14)20(25)28-19-9-8-15(18(24)12-23)11-17(19)13-27-21(26)22(2,3)4/h5-11H,12-13H2,1-4H3