(5-bromanyl-2-methoxy-phenyl)methyl 9-oxidanylidenebicyclo[3.3.1]nonane-3-carboxylate

Systemtic Name: (5-bromanyl-2-methoxy-phenyl)methyl 9-oxidanylidenebicyclo[3.3.1]nonane-3-carboxylate Openeye Name: (5-bromo-2-methoxy-phenyl)methyl 9-oxobicyclo[3.3.1]nonane-3-carboxylate CAS Name: 9-oxo-3-bicyclo[3.3.1]nonanecarboxylic acid (5-bromo-2-methoxyphenyl)methyl ester IUPAC Name: (5-bromo-2-methoxyphenyl)methyl 9-oxobicyclo[3.3.1]nonane-3-carboxylate Traditional Name: 9-ketobicyclo[3.3.1]nonane-3-carboxylic acid (5-bromo-2-methoxy-benzyl) ester Formula: C18H21BrO4 MolecularWeight: 381.26094

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)COC(=O)C2CC3CCCC(C2)C3=O

Isomeric SMILES

COC1=C(C=C(C=C1)Br)COC(=O)C2CC3CCCC(C2)C3=O

InChI

InChI=1S/C18H21BrO4/c1-22-16-6-5-15(19)9-14(16)10-23-18(21)13-7-11-3-2-4-12(8-13)17(11)20/h5-6,9,11-13H,2-4,7-8,10H2,1H3