[2-(4-methoxyphenyl)-5-phenyl-pyrazol-3-yl] 4-tert-butylbenzoate

Systemtic Name: [2-(4-methoxyphenyl)-5-phenyl-pyrazol-3-yl] 4-tert-butylbenzoate Openeye Name: [2-(4-methoxyphenyl)-5-phenyl-pyrazol-3-yl] 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid [2-(4-methoxyphenyl)-5-phenyl-3-pyrazolyl] ester IUPAC Name: [2-(4-methoxyphenyl)-5-phenylpyrazol-3-yl] 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid [2-(4-methoxyphenyl)-5-phenyl-pyrazol-3-yl] ester Formula: C27H26N2O3 MolecularWeight: 426.50694

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)OC2=CC(=NN2C3=CC=C(C=C3)OC)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)OC2=CC(=NN2C3=CC=C(C=C3)OC)C4=CC=CC=C4

InChI

InChI=1S/C27H26N2O3/c1-27(2,3)21-12-10-20(11-13-21)26(30)32-25-18-24(19-8-6-5-7-9-19)28-29(25)22-14-16-23(31-4)17-15-22/h5-18H,1-4H3