2-[1-adamantyl(methyl)amino]ethyl 5-bromanylpyridine-3-carboxylate

Systemtic Name: 2-[1-adamantyl(methyl)amino]ethyl 5-bromanylpyridine-3-carboxylate Openeye Name: 2-[1-adamantyl(methyl)amino]ethyl 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid 2-[1-adamantyl(methyl)amino]ethyl ester IUPAC Name: 2-[1-adamantyl(methyl)amino]ethyl 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid 2-[1-adamantyl(methyl)amino]ethyl ester Formula: C19H25BrN2O2 MolecularWeight: 393.318

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCOC(=O)C1=CC(=CN=C1)Br)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CN(CCOC(=O)C1=CC(=CN=C1)Br)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C19H25BrN2O2/c1-22(2-3-24-18(23)16-7-17(20)12-21-11-16)19-8-13-4-14(9-19)6-15(5-13)10-19/h7,11-15H,2-6,8-10H2,1H3