(4-pentylphenyl) 2-fluoranyl-4-(5-octylpyridin-2-yl)benzoate

Systemtic Name: (4-pentylphenyl) 2-fluoranyl-4-(5-octylpyridin-2-yl)benzoate Openeye Name: (4-pentylphenyl) 2-fluoro-4-(5-octyl-2-pyridyl)benzoate CAS Name: 2-fluoro-4-(5-octyl-2-pyridinyl)benzoic acid (4-pentylphenyl) ester IUPAC Name: (4-pentylphenyl) 2-fluoro-4-(5-octylpyridin-2-yl)benzoate Traditional Name: 2-fluoro-4-(5-octyl-2-pyridyl)benzoic acid (4-amylphenyl) ester Formula: C31H38FNO2 MolecularWeight: 475.637323

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(C=C1)C2=CC(=C(C=C2)C(=O)OC3=CC=C(C=C3)CCCCC)F

Isomeric SMILES

CCCCCCCCC1=CN=C(C=C1)C2=CC(=C(C=C2)C(=O)OC3=CC=C(C=C3)CCCCC)F

InChI

InChI=1S/C31H38FNO2/c1-3-5-7-8-9-11-13-25-16-21-30(33-23-25)26-17-20-28(29(32)22-26)31(34)35-27-18-14-24(15-19-27)12-10-6-4-2/h14-23H,3-13H2,1-2H3