methyl 5-(1-adamantylcarbonyloxy)-1-methyl-pyrazole-3-carboxylate

Systemtic Name: methyl 5-(1-adamantylcarbonyloxy)-1-methyl-pyrazole-3-carboxylate Openeye Name: methyl 5-(adamantane-1-carbonyloxy)-1-methyl-pyrazole-3-carboxylate CAS Name: 5-[1-adamantyl(oxo)methoxy]-1-methyl-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 5-(adamantane-1-carbonyloxy)-1-methylpyrazole-3-carboxylate Traditional Name: 5-(adamantane-1-carbonyloxy)-1-methyl-pyrazole-3-carboxylic acid methyl ester Formula: C17H22N2O4 MolecularWeight: 318.36758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=N1)C(=O)OC)OC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CN1C(=CC(=N1)C(=O)OC)OC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C17H22N2O4/c1-19-14(6-13(18-19)15(20)22-2)23-16(21)17-7-10-3-11(8-17)5-12(4-10)9-17/h6,10-12H,3-5,7-9H2,1-2H3