[2-(3-methylphenyl)-5-(trifluoromethyl)pyrazol-3-yl] 4-butoxybenzoate

Systemtic Name: [2-(3-methylphenyl)-5-(trifluoromethyl)pyrazol-3-yl] 4-butoxybenzoate Openeye Name: [2-(m-tolyl)-5-(trifluoromethyl)pyrazol-3-yl] 4-butoxybenzoate CAS Name: 4-butoxybenzoic acid [2-(3-methylphenyl)-5-(trifluoromethyl)-3-pyrazolyl] ester IUPAC Name: [2-(3-methylphenyl)-5-(trifluoromethyl)pyrazol-3-yl] 4-butoxybenzoate Traditional Name: 4-butoxybenzoic acid [2-(m-tolyl)-5-(trifluoromethyl)pyrazol-3-yl] ester Formula: C22H21F3N2O3 MolecularWeight: 418.40895

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)OC2=CC(=NN2C3=CC=CC(=C3)C)C(F)(F)F

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)OC2=CC(=NN2C3=CC=CC(=C3)C)C(F)(F)F

InChI

InChI=1S/C22H21F3N2O3/c1-3-4-12-29-18-10-8-16(9-11-18)21(28)30-20-14-19(22(23,24)25)26-27(20)17-7-5-6-15(2)13-17/h5-11,13-14H,3-4,12H2,1-2H3