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

Systemtic Name: quinolin-8-yl 3-bromanyl-1,7,7-trimethyl-2-oxidanylidene-bicyclo[2.2.1]heptane-4-carboxylate Openeye Name: 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 8-quinolinyl ester IUPAC Name: quinolin-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 8-quinolyl ester Formula: C20H20BrNO3 MolecularWeight: 402.2817

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2(CCC1(C(C2=O)Br)C(=O)OC3=CC=CC4=C3N=CC=C4)C)C

Isomeric SMILES

CC1(C2(CCC1(C(C2=O)Br)C(=O)OC3=CC=CC4=C3N=CC=C4)C)C

InChI

InChI=1S/C20H20BrNO3/c1-18(2)19(3)9-10-20(18,15(21)16(19)23)17(24)25-13-8-4-6-12-7-5-11-22-14(12)13/h4-8,11,15H,9-10H2,1-3H3