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1-adamantyl 5-bromanylpyridine-3-carboxylate

1-adamantyl 5-bromanylpyridine-3-carboxylate

Systemtic Name:1-adamantyl 5-bromanylpyridine-3-carboxylate
Openeye Name:1-adamantyl 5-bromopyridine-3-carboxylate
CAS Name:5-bromo-3-pyridinecarboxylic acid 1-adamantyl ester
IUPAC Name:1-adamantyl 5-bromopyridine-3-carboxylate
Traditional Name:5-bromonicotinic acid 1-adamantyl ester
Formula: C16H18BrNO2
MolecularWeight: 336.22362
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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)OC(=O)C4=CC(=CN=C4)Br


Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)OC(=O)C4=CC(=CN=C4)Br


InChI

InChI=1S/C16H18BrNO2/c17-14-4-13(8-18-9-14)15(19)20-16-5-10-1-11(6-16)3-12(2-10)7-16/h4,8-12H,1-3,5-7H2


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