[4-(5-heptylpyridin-2-yl)phenyl] 4-ethyl-2-fluoranyl-benzoate

Systemtic Name: [4-(5-heptylpyridin-2-yl)phenyl] 4-ethyl-2-fluoranyl-benzoate Openeye Name: [4-(5-heptyl-2-pyridyl)phenyl] 4-ethyl-2-fluoro-benzoate CAS Name: 4-ethyl-2-fluorobenzoic acid [4-(5-heptyl-2-pyridinyl)phenyl] ester IUPAC Name: [4-(5-heptylpyridin-2-yl)phenyl] 4-ethyl-2-fluorobenzoate Traditional Name: 4-ethyl-2-fluoro-benzoic acid [4-(5-heptyl-2-pyridyl)phenyl] ester Formula: C27H30FNO2 MolecularWeight: 419.531003

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=C(C=C(C=C3)CC)F

Isomeric SMILES

CCCCCCCC1=CN=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=C(C=C(C=C3)CC)F

InChI

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