ethyl 5-tert-butyl-2-[(2,4,6-trimethylphenyl)methyl]pyrazole-3-carboxylate

Systemtic Name: ethyl 5-tert-butyl-2-[(2,4,6-trimethylphenyl)methyl]pyrazole-3-carboxylate Openeye Name: ethyl 5-tert-butyl-2-[(2,4,6-trimethylphenyl)methyl]pyrazole-3-carboxylate CAS Name: 5-tert-butyl-2-[(2,4,6-trimethylphenyl)methyl]-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-tert-butyl-2-[(2,4,6-trimethylphenyl)methyl]pyrazole-3-carboxylate Traditional Name: 5-tert-butyl-2-(2,4,6-trimethylbenzyl)pyrazole-3-carboxylic acid ethyl ester Formula: C20H28N2O2 MolecularWeight: 328.44852

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=NN1CC2=C(C=C(C=C2C)C)C)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=CC(=NN1CC2=C(C=C(C=C2C)C)C)C(C)(C)C

InChI

InChI=1S/C20H28N2O2/c1-8-24-19(23)17-11-18(20(5,6)7)21-22(17)12-16-14(3)9-13(2)10-15(16)4/h9-11H,8,12H2,1-7H3