[2-(2,3-dimethylphenyl)-5-ethyl-pyrazol-3-yl] 4-pentylbenzoate

Systemtic Name: [2-(2,3-dimethylphenyl)-5-ethyl-pyrazol-3-yl] 4-pentylbenzoate Openeye Name: [2-(2,3-dimethylphenyl)-5-ethyl-pyrazol-3-yl] 4-pentylbenzoate CAS Name: 4-pentylbenzoic acid [2-(2,3-dimethylphenyl)-5-ethyl-3-pyrazolyl] ester IUPAC Name: [2-(2,3-dimethylphenyl)-5-ethylpyrazol-3-yl] 4-pentylbenzoate Traditional Name: 4-amylbenzoic acid [2-(2,3-dimethylphenyl)-5-ethyl-pyrazol-3-yl] ester Formula: C25H30N2O2 MolecularWeight: 390.5179

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)OC2=CC(=NN2C3=CC=CC(=C3C)C)CC

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)OC2=CC(=NN2C3=CC=CC(=C3C)C)CC

InChI

InChI=1S/C25H30N2O2/c1-5-7-8-11-20-13-15-21(16-14-20)25(28)29-24-17-22(6-2)26-27(24)23-12-9-10-18(3)19(23)4/h9-10,12-17H,5-8,11H2,1-4H3