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

Systemtic Name: [2-(3-methylphenyl)-5-phenyl-pyrazol-3-yl] decanoate Openeye Name: [2-(m-tolyl)-5-phenyl-pyrazol-3-yl] decanoate CAS Name: decanoic acid [2-(3-methylphenyl)-5-phenyl-3-pyrazolyl] ester IUPAC Name: [2-(3-methylphenyl)-5-phenylpyrazol-3-yl] decanoate Traditional Name: capric acid [2-(m-tolyl)-5-phenyl-pyrazol-3-yl] ester Formula: C26H32N2O2 MolecularWeight: 404.54448

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)OC1=CC(=NN1C2=CC=CC(=C2)C)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCC(=O)OC1=CC(=NN1C2=CC=CC(=C2)C)C3=CC=CC=C3

InChI

InChI=1S/C26H32N2O2/c1-3-4-5-6-7-8-12-18-26(29)30-25-20-24(22-15-10-9-11-16-22)27-28(25)23-17-13-14-21(2)19-23/h9-11,13-17,19-20H,3-8,12,18H2,1-2H3