[2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 5-bromanylpyridine-3-carboxylate

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 5-bromanylpyridine-3-carboxylate Openeye Name: [2-(1-adamantylmethylamino)-2-oxo-ethyl] 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [2-(1-adamantylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylmethylamino)-2-oxoethyl] 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid [2-(1-adamantylmethylamino)-2-keto-ethyl] ester Formula: C19H23BrN2O3 MolecularWeight: 407.30152

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC(=O)COC(=O)C4=CC(=CN=C4)Br

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC(=O)COC(=O)C4=CC(=CN=C4)Br

InChI

InChI=1S/C19H23BrN2O3/c20-16-4-15(8-21-9-16)18(24)25-10-17(23)22-11-19-5-12-1-13(6-19)3-14(2-12)7-19/h4,8-9,12-14H,1-3,5-7,10-11H2,(H,22,23)