ethyl 5-(1-adamantylcarbonyloxy)-1-phenyl-pyrazole-3-carboxylate

Systemtic Name: ethyl 5-(1-adamantylcarbonyloxy)-1-phenyl-pyrazole-3-carboxylate Openeye Name: ethyl 5-(adamantane-1-carbonyloxy)-1-phenyl-pyrazole-3-carboxylate CAS Name: 5-[1-adamantyl(oxo)methoxy]-1-phenyl-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(adamantane-1-carbonyloxy)-1-phenylpyrazole-3-carboxylate Traditional Name: 5-(adamantane-1-carbonyloxy)-1-phenyl-pyrazole-3-carboxylic acid ethyl ester Formula: C23H26N2O4 MolecularWeight: 394.46354

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=C1)OC(=O)C23CC4CC(C2)CC(C4)C3)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=NN(C(=C1)OC(=O)C23CC4CC(C2)CC(C4)C3)C5=CC=CC=C5

InChI

InChI=1S/C23H26N2O4/c1-2-28-21(26)19-11-20(25(24-19)18-6-4-3-5-7-18)29-22(27)23-12-15-8-16(13-23)10-17(9-15)14-23/h3-7,11,15-17H,2,8-10,12-14H2,1H3