(4-tert-butyl-2,6-dimethyl-phenyl)methyl 1,3-diphenylpyrazole-4-carboxylate

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 1,3-diphenylpyrazole-4-carboxylate Openeye Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 1,3-diphenylpyrazole-4-carboxylate CAS Name: 1,3-diphenyl-4-pyrazolecarboxylic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl 1,3-diphenylpyrazole-4-carboxylate Traditional Name: 1,3-diphenylpyrazole-4-carboxylic acid (4-tert-butyl-2,6-dimethyl-benzyl) ester Formula: C29H30N2O2 MolecularWeight: 438.5607

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1COC(=O)C2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1COC(=O)C2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)C)C(C)(C)C

InChI

InChI=1S/C29H30N2O2/c1-20-16-23(29(3,4)5)17-21(2)26(20)19-33-28(32)25-18-31(24-14-10-7-11-15-24)30-27(25)22-12-8-6-9-13-22/h6-18H,19H2,1-5H3