ethyl 5-(4-tert-butylphenyl)-1-methyl-pyrazole-3-carboxylate

Systemtic Name: ethyl 5-(4-tert-butylphenyl)-1-methyl-pyrazole-3-carboxylate Openeye Name: ethyl 5-(4-tert-butylphenyl)-1-methyl-pyrazole-3-carboxylate CAS Name: 5-(4-tert-butylphenyl)-1-methyl-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(4-tert-butylphenyl)-1-methylpyrazole-3-carboxylate Traditional Name: 5-(4-tert-butylphenyl)-1-methyl-pyrazole-3-carboxylic acid ethyl ester Formula: C17H22N2O2 MolecularWeight: 286.36878

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=C1)C2=CC=C(C=C2)C(C)(C)C)C

Isomeric SMILES

CCOC(=O)C1=NN(C(=C1)C2=CC=C(C=C2)C(C)(C)C)C

InChI

InChI=1S/C17H22N2O2/c1-6-21-16(20)14-11-15(19(5)18-14)12-7-9-13(10-8-12)17(2,3)4/h7-11H,6H2,1-5H3