[2-(2,3-dimethylphenyl)-5-propyl-pyrazol-3-yl] 4-butylbenzoate

Systemtic Name: [2-(2,3-dimethylphenyl)-5-propyl-pyrazol-3-yl] 4-butylbenzoate Openeye Name: [2-(2,3-dimethylphenyl)-5-propyl-pyrazol-3-yl] 4-butylbenzoate CAS Name: 4-butylbenzoic acid [2-(2,3-dimethylphenyl)-5-propyl-3-pyrazolyl] ester IUPAC Name: [2-(2,3-dimethylphenyl)-5-propylpyrazol-3-yl] 4-butylbenzoate Traditional Name: 4-butylbenzoic acid [2-(2,3-dimethylphenyl)-5-propyl-pyrazol-3-yl] ester Formula: C25H30N2O2 MolecularWeight: 390.5179

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)OC2=CC(=NN2C3=CC=CC(=C3C)C)CCC

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)OC2=CC(=NN2C3=CC=CC(=C3C)C)CCC

InChI

InChI=1S/C25H30N2O2/c1-5-7-11-20-13-15-21(16-14-20)25(28)29-24-17-22(9-6-2)26-27(24)23-12-8-10-18(3)19(23)4/h8,10,12-17H,5-7,9,11H2,1-4H3