[1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 6-morpholin-4-ylpyridine-3-carboxylate

Systemtic Name: [1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 6-morpholin-4-ylpyridine-3-carboxylate Openeye Name: [2-(1-adamantyl)-1-methyl-2-oxo-ethyl] 6-morpholinopyridine-3-carboxylate CAS Name: 6-(4-morpholinyl)-3-pyridinecarboxylic acid [1-(1-adamantyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1-adamantyl)-1-oxopropan-2-yl] 6-morpholin-4-ylpyridine-3-carboxylate Traditional Name: 6-morpholinonicotinic acid [2-(1-adamantyl)-2-keto-1-methyl-ethyl] ester Formula: C23H30N2O4 MolecularWeight: 398.4953

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C12CC3CC(C1)CC(C3)C2)OC(=O)C4=CN=C(C=C4)N5CCOCC5

Isomeric SMILES

CC(C(=O)C12CC3CC(C1)CC(C3)C2)OC(=O)C4=CN=C(C=C4)N5CCOCC5

InChI

InChI=1S/C23H30N2O4/c1-15(21(26)23-11-16-8-17(12-23)10-18(9-16)13-23)29-22(27)19-2-3-20(24-14-19)25-4-6-28-7-5-25/h2-3,14-18H,4-13H2,1H3