[(2R)-1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 5-bromanylpyridine-3-carboxylate

Systemtic Name: [(2R)-1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 5-bromanylpyridine-3-carboxylate Openeye Name: [(1R)-2-(1-adamantyl)-1-methyl-2-oxo-ethyl] 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [(2R)-1-(1-adamantyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1-adamantyl)-1-oxopropan-2-yl] 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid [(1R)-2-(1-adamantyl)-2-keto-1-methyl-ethyl] ester Formula: C19H22BrNO3 MolecularWeight: 392.28688

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C12CC3CC(C1)CC(C3)C2)OC(=O)C4=CC(=CN=C4)Br

Isomeric SMILES

C[C@H](C(=O)C12CC3CC(C1)CC(C3)C2)OC(=O)C4=CC(=CN=C4)Br

InChI

InChI=1S/C19H22BrNO3/c1-11(24-18(23)15-5-16(20)10-21-9-15)17(22)19-6-12-2-13(7-19)4-14(3-12)8-19/h5,9-14H,2-4,6-8H2,1H3/t11-,12?,13?,14?,19?/m1/s1