(3,3-dimethyl-2-oxidanylidene-butyl) 3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 3,5-dimethyl-1-(p-tolylmethyl)pyrazole-4-carboxylate CAS Name: 3,5-dimethyl-1-[(4-methylphenyl)methyl]-4-pyrazolecarboxylic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylate Traditional Name: 3,5-dimethyl-1-(4-methylbenzyl)pyrazole-4-carboxylic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C20H26N2O3 MolecularWeight: 342.43204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C(=O)OCC(=O)C(C)(C)C)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C(=O)OCC(=O)C(C)(C)C)C

InChI

InChI=1S/C20H26N2O3/c1-13-7-9-16(10-8-13)11-22-15(3)18(14(2)21-22)19(24)25-12-17(23)20(4,5)6/h7-10H,11-12H2,1-6H3