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

Systemtic Name: (4-chloranyl-3-methyl-phenyl) 5-tert-butyl-2-[(2,4,6-trimethylphenyl)methyl]pyrazole-3-carboxylate Openeye Name: (4-chloro-3-methyl-phenyl) 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-chloro-3-methylphenyl) ester IUPAC Name: (4-chloro-3-methylphenyl) 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-chloro-3-methyl-phenyl) ester Formula: C25H29ClN2O2 MolecularWeight: 424.96296

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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)Cl)C)C

Isomeric SMILES

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

InChI

InChI=1S/C25H29ClN2O2/c1-15-10-16(2)20(17(3)11-15)14-28-22(13-23(27-28)25(5,6)7)24(29)30-19-8-9-21(26)18(4)12-19/h8-13H,14H2,1-7H3