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

Systemtic Name: (4-acetamidophenyl) 5-tert-butyl-2-[(2,4,6-trimethylphenyl)methyl]pyrazole-3-carboxylate Openeye Name: (4-acetamidophenyl) 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 (4-acetamidophenyl) ester IUPAC Name: (4-acetamidophenyl) 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 (4-acetamidophenyl) ester Formula: C26H31N3O3 MolecularWeight: 433.54264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)CN2C(=CC(=N2)C(C)(C)C)C(=O)OC3=CC=C(C=C3)NC(=O)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)CN2C(=CC(=N2)C(C)(C)C)C(=O)OC3=CC=C(C=C3)NC(=O)C)C

InChI

InChI=1S/C26H31N3O3/c1-16-12-17(2)22(18(3)13-16)15-29-23(14-24(28-29)26(5,6)7)25(31)32-21-10-8-20(9-11-21)27-19(4)30/h8-14H,15H2,1-7H3,(H,27,30)