[2-(2,4-dimethylphenyl)-5-phenyl-pyrazol-3-yl] 3-phenylpropanoate

Systemtic Name: [2-(2,4-dimethylphenyl)-5-phenyl-pyrazol-3-yl] 3-phenylpropanoate Openeye Name: [2-(2,4-dimethylphenyl)-5-phenyl-pyrazol-3-yl] 3-phenylpropanoate CAS Name: 3-phenylpropanoic acid [2-(2,4-dimethylphenyl)-5-phenyl-3-pyrazolyl] ester IUPAC Name: [2-(2,4-dimethylphenyl)-5-phenylpyrazol-3-yl] 3-phenylpropanoate Traditional Name: 3-phenylpropionic acid [2-(2,4-dimethylphenyl)-5-phenyl-pyrazol-3-yl] ester Formula: C26H24N2O2 MolecularWeight: 396.48096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=CC(=N2)C3=CC=CC=C3)OC(=O)CCC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=CC(=N2)C3=CC=CC=C3)OC(=O)CCC4=CC=CC=C4)C

InChI

InChI=1S/C26H24N2O2/c1-19-13-15-24(20(2)17-19)28-25(18-23(27-28)22-11-7-4-8-12-22)30-26(29)16-14-21-9-5-3-6-10-21/h3-13,15,17-18H,14,16H2,1-2H3