(5-methyl-2-propan-2-yl-phenyl) 3-bromanyl-1,7,7-trimethyl-2-oxidanylidene-bicyclo[2.2.1]heptane-4-carboxylate

Systemtic Name: (5-methyl-2-propan-2-yl-phenyl) 3-bromanyl-1,7,7-trimethyl-2-oxidanylidene-bicyclo[2.2.1]heptane-4-carboxylate Openeye Name: (2-isopropyl-5-methyl-phenyl) 2-bromo-4,7,7-trimethyl-3-oxo-norbornane-1-carboxylate CAS Name: 3-bromo-1,7,7-trimethyl-2-oxo-4-bicyclo[2.2.1]heptanecarboxylic acid (5-methyl-2-propan-2-ylphenyl) ester IUPAC Name: (5-methyl-2-propan-2-ylphenyl) 3-bromo-1,7,7-trimethyl-2-oxobicyclo[2.2.1]heptane-4-carboxylate Traditional Name: 2-bromo-3-keto-4,7,7-trimethyl-norbornane-1-carboxylic acid (2-isopropyl-5-methyl-phenyl) ester Formula: C21H27BrO3 MolecularWeight: 407.34128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OC(=O)C23CCC(C2(C)C)(C(=O)C3Br)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OC(=O)C23CCC(C2(C)C)(C(=O)C3Br)C

InChI

InChI=1S/C21H27BrO3/c1-12(2)14-8-7-13(3)11-15(14)25-18(24)21-10-9-20(6,19(21,4)5)17(23)16(21)22/h7-8,11-12,16H,9-10H2,1-6H3