[6-(trifluoromethyl)pyridin-3-yl] 4-pentylbenzoate

Systemtic Name: [6-(trifluoromethyl)pyridin-3-yl] 4-pentylbenzoate Openeye Name: [6-(trifluoromethyl)-3-pyridyl] 4-pentylbenzoate CAS Name: 4-pentylbenzoic acid [6-(trifluoromethyl)-3-pyridinyl] ester IUPAC Name: [6-(trifluoromethyl)pyridin-3-yl] 4-pentylbenzoate Traditional Name: 4-amylbenzoic acid [6-(trifluoromethyl)-3-pyridyl] ester Formula: C18H18F3NO2 MolecularWeight: 337.33623

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)OC2=CN=C(C=C2)C(F)(F)F

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)OC2=CN=C(C=C2)C(F)(F)F

InChI

InChI=1S/C18H18F3NO2/c1-2-3-4-5-13-6-8-14(9-7-13)17(23)24-15-10-11-16(22-12-15)18(19,20)21/h6-12H,2-5H2,1H3