tert-butyl 2-[3-[2-[5-ethyl-3-(4-methylphenyl)-4-phenyl-pyrazol-1-yl]phenyl]phenoxy]ethanoate

Systemtic Name: tert-butyl 2-[3-[2-[5-ethyl-3-(4-methylphenyl)-4-phenyl-pyrazol-1-yl]phenyl]phenoxy]ethanoate Openeye Name: tert-butyl 2-[3-[2-[5-ethyl-4-phenyl-3-(p-tolyl)pyrazol-1-yl]phenyl]phenoxy]acetate CAS Name: 2-[3-[2-[5-ethyl-3-(4-methylphenyl)-4-phenyl-1-pyrazolyl]phenyl]phenoxy]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[3-[2-[5-ethyl-3-(4-methylphenyl)-4-phenylpyrazol-1-yl]phenyl]phenoxy]acetate Traditional Name: 2-[3-[2-[5-ethyl-4-phenyl-3-(p-tolyl)pyrazol-1-yl]phenyl]phenoxy]acetic acid tert-butyl ester Formula: C36H36N2O3 MolecularWeight: 544.68264

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NN1C2=CC=CC=C2C3=CC(=CC=C3)OCC(=O)OC(C)(C)C)C4=CC=C(C=C4)C)C5=CC=CC=C5

Isomeric SMILES

CCC1=C(C(=NN1C2=CC=CC=C2C3=CC(=CC=C3)OCC(=O)OC(C)(C)C)C4=CC=C(C=C4)C)C5=CC=CC=C5

InChI

InChI=1S/C36H36N2O3/c1-6-31-34(26-13-8-7-9-14-26)35(27-21-19-25(2)20-22-27)37-38(31)32-18-11-10-17-30(32)28-15-12-16-29(23-28)40-24-33(39)41-36(3,4)5/h7-23H,6,24H2,1-5H3