[1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 6-(dimethylamino)pyridine-3-carboxylate

Systemtic Name: [1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 6-(dimethylamino)pyridine-3-carboxylate Openeye Name: [2-(1-adamantyl)-1-methyl-2-oxo-ethyl] 6-(dimethylamino)pyridine-3-carboxylate CAS Name: 6-(dimethylamino)-3-pyridinecarboxylic acid [1-(1-adamantyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1-adamantyl)-1-oxopropan-2-yl] 6-(dimethylamino)pyridine-3-carboxylate Traditional Name: 6-(dimethylamino)nicotinic acid [2-(1-adamantyl)-2-keto-1-methyl-ethyl] ester Formula: C21H28N2O3 MolecularWeight: 356.45862

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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)N(C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O3/c1-13(26-20(25)17-4-5-18(22-12-17)23(2)3)19(24)21-9-14-6-15(10-21)8-16(7-14)11-21/h4-5,12-16H,6-11H2,1-3H3