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

Systemtic Name: [1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 6-(cyclopropylamino)pyridine-3-carboxylate Openeye Name: [2-(1-adamantyl)-1-methyl-2-oxo-ethyl] 6-(cyclopropylamino)pyridine-3-carboxylate CAS Name: 6-(cyclopropylamino)-3-pyridinecarboxylic acid [1-(1-adamantyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1-adamantyl)-1-oxopropan-2-yl] 6-(cyclopropylamino)pyridine-3-carboxylate Traditional Name: 6-(cyclopropylamino)nicotinic acid [2-(1-adamantyl)-2-keto-1-methyl-ethyl] ester Formula: C22H28N2O3 MolecularWeight: 368.46932

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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)NC5CC5

Isomeric SMILES

CC(C(=O)C12CC3CC(C1)CC(C3)C2)OC(=O)C4=CN=C(C=C4)NC5CC5

InChI

InChI=1S/C22H28N2O3/c1-13(20(25)22-9-14-6-15(10-22)8-16(7-14)11-22)27-21(26)17-2-5-19(23-12-17)24-18-3-4-18/h2,5,12-16,18H,3-4,6-11H2,1H3,(H,23,24)