(2-methylquinolin-8-yl) 3-bromanyl-1,7,7-trimethyl-2-oxidanylidene-bicyclo[2.2.1]heptane-4-carboxylate

Systemtic Name: (2-methylquinolin-8-yl) 3-bromanyl-1,7,7-trimethyl-2-oxidanylidene-bicyclo[2.2.1]heptane-4-carboxylate Openeye Name: (2-methyl-8-quinolyl) 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 (2-methyl-8-quinolinyl) ester IUPAC Name: (2-methylquinolin-8-yl) 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-methyl-8-quinolyl) ester Formula: C21H22BrNO3 MolecularWeight: 416.30828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2OC(=O)C34CCC(C3(C)C)(C(=O)C4Br)C)C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2OC(=O)C34CCC(C3(C)C)(C(=O)C4Br)C)C=C1

InChI

InChI=1S/C21H22BrNO3/c1-12-8-9-13-6-5-7-14(15(13)23-12)26-18(25)21-11-10-20(4,19(21,2)3)17(24)16(21)22/h5-9,16H,10-11H2,1-4H3