methyl 1-[4-(2-bromanyl-2-methyl-propanoyl)phenyl]bicyclo[2.2.2]octane-4-carboxylate

Systemtic Name: methyl 1-[4-(2-bromanyl-2-methyl-propanoyl)phenyl]bicyclo[2.2.2]octane-4-carboxylate Openeye Name: methyl 1-[4-(2-bromo-2-methyl-propanoyl)phenyl]bicyclo[2.2.2]octane-4-carboxylate CAS Name: 1-[4-(2-bromo-2-methyl-1-oxopropyl)phenyl]-4-bicyclo[2.2.2]octanecarboxylic acid methyl ester IUPAC Name: methyl 1-[4-(2-bromo-2-methylpropanoyl)phenyl]bicyclo[2.2.2]octane-4-carboxylate Traditional Name: 1-[4-(2-bromo-2-methyl-propanoyl)phenyl]bicyclo[2.2.2]octane-4-carboxylic acid methyl ester Formula: C20H25BrO3 MolecularWeight: 393.3147

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)C1=CC=C(C=C1)C23CCC(CC2)(CC3)C(=O)OC)Br

Isomeric SMILES

CC(C)(C(=O)C1=CC=C(C=C1)C23CCC(CC2)(CC3)C(=O)OC)Br

InChI

InChI=1S/C20H25BrO3/c1-18(2,21)16(22)14-4-6-15(7-5-14)19-8-11-20(12-9-19,13-10-19)17(23)24-3/h4-7H,8-13H2,1-3H3