tert-butyl 3-[3-[2-[5-ethyl-3-(4-methoxyphenyl)-4-phenyl-pyrazol-1-yl]phenyl]phenyl]propanoate

Systemtic Name: tert-butyl 3-[3-[2-[5-ethyl-3-(4-methoxyphenyl)-4-phenyl-pyrazol-1-yl]phenyl]phenyl]propanoate Openeye Name: tert-butyl 3-[3-[2-[5-ethyl-3-(4-methoxyphenyl)-4-phenyl-pyrazol-1-yl]phenyl]phenyl]propanoate CAS Name: 3-[3-[2-[5-ethyl-3-(4-methoxyphenyl)-4-phenyl-1-pyrazolyl]phenyl]phenyl]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[3-[2-[5-ethyl-3-(4-methoxyphenyl)-4-phenylpyrazol-1-yl]phenyl]phenyl]propanoate Traditional Name: 3-[3-[2-[5-ethyl-3-(4-methoxyphenyl)-4-phenyl-pyrazol-1-yl]phenyl]phenyl]propionic acid tert-butyl ester Formula: C37H38N2O3 MolecularWeight: 558.70922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C37H38N2O3/c1-6-32-35(27-14-8-7-9-15-27)36(28-20-22-30(41-5)23-21-28)38-39(32)33-18-11-10-17-31(33)29-16-12-13-26(25-29)19-24-34(40)42-37(2,3)4/h7-18,20-23,25H,6,19,24H2,1-5H3