[2-(3-methylphenyl)-5-phenyl-pyrazol-3-yl] 3,5,5-trimethylhexanoate

Systemtic Name: [2-(3-methylphenyl)-5-phenyl-pyrazol-3-yl] 3,5,5-trimethylhexanoate Openeye Name: [2-(m-tolyl)-5-phenyl-pyrazol-3-yl] 3,5,5-trimethylhexanoate CAS Name: 3,5,5-trimethylhexanoic acid [2-(3-methylphenyl)-5-phenyl-3-pyrazolyl] ester IUPAC Name: [2-(3-methylphenyl)-5-phenylpyrazol-3-yl] 3,5,5-trimethylhexanoate Traditional Name: 3,5,5-trimethylhexanoic acid [2-(m-tolyl)-5-phenyl-pyrazol-3-yl] ester Formula: C25H30N2O2 MolecularWeight: 390.5179

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N2O2/c1-18-10-9-13-21(14-18)27-23(16-22(26-27)20-11-7-6-8-12-20)29-24(28)15-19(2)17-25(3,4)5/h6-14,16,19H,15,17H2,1-5H3