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

Systemtic Name: [6-(trifluoromethyl)pyridin-3-yl] 4-butylbenzoate Openeye Name: [6-(trifluoromethyl)-3-pyridyl] 4-butylbenzoate CAS Name: 4-butylbenzoic acid [6-(trifluoromethyl)-3-pyridinyl] ester IUPAC Name: [6-(trifluoromethyl)pyridin-3-yl] 4-butylbenzoate Traditional Name: 4-butylbenzoic acid [6-(trifluoromethyl)-3-pyridyl] ester Formula: C17H16F3NO2 MolecularWeight: 323.30965

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)OC2=CN=C(C=C2)C(F)(F)F

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)OC2=CN=C(C=C2)C(F)(F)F

InChI

InChI=1S/C17H16F3NO2/c1-2-3-4-12-5-7-13(8-6-12)16(22)23-14-9-10-15(21-11-14)17(18,19)20/h5-11H,2-4H2,1H3