2-(2,2-dimethylbutanoyloxy)ethyl 1-phenyl-4-quinolin-2-yl-5-triethylsilyloxy-pyrazole-3-carboxylate

Systemtic Name: 2-(2,2-dimethylbutanoyloxy)ethyl 1-phenyl-4-quinolin-2-yl-5-triethylsilyloxy-pyrazole-3-carboxylate Openeye Name: 2-(2,2-dimethylbutanoyloxy)ethyl 1-phenyl-4-(2-quinolyl)-5-triethylsilyloxy-pyrazole-3-carboxylate CAS Name: 1-phenyl-4-(2-quinolinyl)-5-triethylsilyloxy-3-pyrazolecarboxylic acid 2-(2,2-dimethyl-1-oxobutoxy)ethyl ester IUPAC Name: 2-(2,2-dimethylbutanoyloxy)ethyl 1-phenyl-4-quinolin-2-yl-5-triethylsilyloxypyrazole-3-carboxylate Traditional Name: 1-phenyl-4-(2-quinolyl)-5-triethylsilyloxy-pyrazole-3-carboxylic acid 2-(2,2-dimethylbutanoyloxy)ethyl ester Formula: C33H41N3O5Si MolecularWeight: 587.78124

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)OCCOC(=O)C1=NN(C(=C1C2=NC3=CC=CC=C3C=C2)O[Si](CC)(CC)CC)C4=CC=CC=C4

Isomeric SMILES

CCC(C)(C)C(=O)OCCOC(=O)C1=NN(C(=C1C2=NC3=CC=CC=C3C=C2)O[Si](CC)(CC)CC)C4=CC=CC=C4

InChI

InChI=1S/C33H41N3O5Si/c1-7-33(5,6)32(38)40-23-22-39-31(37)29-28(27-21-20-24-16-14-15-19-26(24)34-27)30(41-42(8-2,9-3)10-4)36(35-29)25-17-12-11-13-18-25/h11-21H,7-10,22-23H2,1-6H3