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

Systemtic Name: [(2R)-1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 2-ethoxypyridine-3-carboxylate Openeye Name: [(1R)-2-(1-adamantyl)-1-methyl-2-oxo-ethyl] 2-ethoxypyridine-3-carboxylate CAS Name: 2-ethoxy-3-pyridinecarboxylic acid [(2R)-1-(1-adamantyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1-adamantyl)-1-oxopropan-2-yl] 2-ethoxypyridine-3-carboxylate Traditional Name: 2-ethoxynicotinic acid [(1R)-2-(1-adamantyl)-2-keto-1-methyl-ethyl] ester Formula: C21H27NO4 MolecularWeight: 357.44338

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC=N1)C(=O)OC(C)C(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCOC1=C(C=CC=N1)C(=O)O[C@H](C)C(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H27NO4/c1-3-25-19-17(5-4-6-22-19)20(24)26-13(2)18(23)21-10-14-7-15(11-21)9-16(8-14)12-21/h4-6,13-16H,3,7-12H2,1-2H3/t13-,14?,15?,16?,21?/m1/s1