[2-(4-methoxyphenyl)-5-phenyl-pyrazol-3-yl] octanoate

Systemtic Name: [2-(4-methoxyphenyl)-5-phenyl-pyrazol-3-yl] octanoate Openeye Name: [2-(4-methoxyphenyl)-5-phenyl-pyrazol-3-yl] octanoate CAS Name: octanoic acid [2-(4-methoxyphenyl)-5-phenyl-3-pyrazolyl] ester IUPAC Name: [2-(4-methoxyphenyl)-5-phenylpyrazol-3-yl] octanoate Traditional Name: caprylic acid [2-(4-methoxyphenyl)-5-phenyl-pyrazol-3-yl] ester Formula: C24H28N2O3 MolecularWeight: 392.49072

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC1=CC(=NN1C2=CC=C(C=C2)OC)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCC(=O)OC1=CC(=NN1C2=CC=C(C=C2)OC)C3=CC=CC=C3

InChI

InChI=1S/C24H28N2O3/c1-3-4-5-6-10-13-24(27)29-23-18-22(19-11-8-7-9-12-19)25-26(23)20-14-16-21(28-2)17-15-20/h7-9,11-12,14-18H,3-6,10,13H2,1-2H3