[1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 3-(1,3,5-trimethylpyrazol-4-yl)propanoate

Systemtic Name: [1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 3-(1,3,5-trimethylpyrazol-4-yl)propanoate Openeye Name: [2-(1-adamantyl)-1-methyl-2-oxo-ethyl] 3-(1,3,5-trimethylpyrazol-4-yl)propanoate CAS Name: 3-(1,3,5-trimethyl-4-pyrazolyl)propanoic acid [1-(1-adamantyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1-adamantyl)-1-oxopropan-2-yl] 3-(1,3,5-trimethylpyrazol-4-yl)propanoate Traditional Name: 3-(1,3,5-trimethylpyrazol-4-yl)propionic acid [2-(1-adamantyl)-2-keto-1-methyl-ethyl] ester Formula: C22H32N2O3 MolecularWeight: 372.50108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32N2O3/c1-13-19(14(2)24(4)23-13)5-6-20(25)27-15(3)21(26)22-10-16-7-17(11-22)9-18(8-16)12-22/h15-18H,5-12H2,1-4H3