[1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 1,3,5-trimethylpyrazole-4-carboxylate

Systemtic Name: [1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 1,3,5-trimethylpyrazole-4-carboxylate Openeye Name: [2-(1-adamantyl)-1-methyl-2-oxo-ethyl] 1,3,5-trimethylpyrazole-4-carboxylate CAS Name: 1,3,5-trimethyl-4-pyrazolecarboxylic acid [1-(1-adamantyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1-adamantyl)-1-oxopropan-2-yl] 1,3,5-trimethylpyrazole-4-carboxylate Traditional Name: 1,3,5-trimethylpyrazole-4-carboxylic acid [2-(1-adamantyl)-2-keto-1-methyl-ethyl] ester Formula: C20H28N2O3 MolecularWeight: 344.44792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)C(=O)OC(C)C(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=C(C(=NN1C)C)C(=O)OC(C)C(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C20H28N2O3/c1-11-17(12(2)22(4)21-11)19(24)25-13(3)18(23)20-8-14-5-15(9-20)7-16(6-14)10-20/h13-16H,5-10H2,1-4H3