(4-tert-butylphenyl)methyl 1,3-diphenylpyrazole-4-carboxylate

Systemtic Name: (4-tert-butylphenyl)methyl 1,3-diphenylpyrazole-4-carboxylate Openeye Name: (4-tert-butylphenyl)methyl 1,3-diphenylpyrazole-4-carboxylate CAS Name: 1,3-diphenyl-4-pyrazolecarboxylic acid (4-tert-butylphenyl)methyl ester IUPAC Name: (4-tert-butylphenyl)methyl 1,3-diphenylpyrazole-4-carboxylate Traditional Name: 1,3-diphenylpyrazole-4-carboxylic acid (4-tert-butylbenzyl) ester Formula: C27H26N2O2 MolecularWeight: 410.50754

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)COC(=O)C2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)COC(=O)C2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H26N2O2/c1-27(2,3)22-16-14-20(15-17-22)19-31-26(30)24-18-29(23-12-8-5-9-13-23)28-25(24)21-10-6-4-7-11-21/h4-18H,19H2,1-3H3