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

Systemtic Name: [4-(5-heptylpyridin-2-yl)phenyl] 2-fluoranyl-4-pentyl-benzoate Openeye Name: [4-(5-heptyl-2-pyridyl)phenyl] 2-fluoro-4-pentyl-benzoate CAS Name: 2-fluoro-4-pentylbenzoic acid [4-(5-heptyl-2-pyridinyl)phenyl] ester IUPAC Name: [4-(5-heptylpyridin-2-yl)phenyl] 2-fluoro-4-pentylbenzoate Traditional Name: 4-amyl-2-fluoro-benzoic acid [4-(5-heptyl-2-pyridyl)phenyl] ester Formula: C30H36FNO2 MolecularWeight: 461.610743

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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)CCCCC)F

Isomeric SMILES

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

InChI

InChI=1S/C30H36FNO2/c1-3-5-7-8-10-12-24-14-20-29(32-22-24)25-15-17-26(18-16-25)34-30(33)27-19-13-23(21-28(27)31)11-9-6-4-2/h13-22H,3-12H2,1-2H3