[5-(methoxymethyl)-2-phenyl-pyrazol-3-yl] 4-hexylbenzoate

Systemtic Name: [5-(methoxymethyl)-2-phenyl-pyrazol-3-yl] 4-hexylbenzoate Openeye Name: [5-(methoxymethyl)-2-phenyl-pyrazol-3-yl] 4-hexylbenzoate CAS Name: 4-hexylbenzoic acid [5-(methoxymethyl)-2-phenyl-3-pyrazolyl] ester IUPAC Name: [5-(methoxymethyl)-2-phenylpyrazol-3-yl] 4-hexylbenzoate Traditional Name: 4-hexylbenzoic acid [5-(methoxymethyl)-2-phenyl-pyrazol-3-yl] ester Formula: C24H28N2O3 MolecularWeight: 392.49072

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C(=O)OC2=CC(=NN2C3=CC=CC=C3)COC

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C(=O)OC2=CC(=NN2C3=CC=CC=C3)COC

InChI

InChI=1S/C24H28N2O3/c1-3-4-5-7-10-19-13-15-20(16-14-19)24(27)29-23-17-21(18-28-2)25-26(23)22-11-8-6-9-12-22/h6,8-9,11-17H,3-5,7,10,18H2,1-2H3