[4-(5-butylpyridin-2-yl)phenyl] 2-fluoranyl-4-pentyl-benzoate

Systemtic Name: [4-(5-butylpyridin-2-yl)phenyl] 2-fluoranyl-4-pentyl-benzoate Openeye Name: [4-(5-butyl-2-pyridyl)phenyl] 2-fluoro-4-pentyl-benzoate CAS Name: 2-fluoro-4-pentylbenzoic acid [4-(5-butyl-2-pyridinyl)phenyl] ester IUPAC Name: [4-(5-butylpyridin-2-yl)phenyl] 2-fluoro-4-pentylbenzoate Traditional Name: 4-amyl-2-fluoro-benzoic acid [4-(5-butyl-2-pyridyl)phenyl] ester Formula: C27H30FNO2 MolecularWeight: 419.531003

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=NC=C(C=C3)CCCC)F

Isomeric SMILES

CCCCCC1=CC(=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=NC=C(C=C3)CCCC)F

InChI

InChI=1S/C27H30FNO2/c1-3-5-7-9-20-10-16-24(25(28)18-20)27(30)31-23-14-12-22(13-15-23)26-17-11-21(19-29-26)8-6-4-2/h10-19H,3-9H2,1-2H3