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

Systemtic Name: [1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 2-(1,3,5-trimethylpyrazol-4-yl)ethanoate Openeye Name: [2-(1-adamantyl)-1-methyl-2-oxo-ethyl] 2-(1,3,5-trimethylpyrazol-4-yl)acetate CAS Name: 2-(1,3,5-trimethyl-4-pyrazolyl)acetic acid [1-(1-adamantyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1-adamantyl)-1-oxopropan-2-yl] 2-(1,3,5-trimethylpyrazol-4-yl)acetate Traditional Name: 2-(1,3,5-trimethylpyrazol-4-yl)acetic acid [2-(1-adamantyl)-2-keto-1-methyl-ethyl] ester Formula: C21H30N2O3 MolecularWeight: 358.4745

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N2O3/c1-12-18(13(2)23(4)22-12)8-19(24)26-14(3)20(25)21-9-15-5-16(10-21)7-17(6-15)11-21/h14-17H,5-11H2,1-4H3