[4-(5-nonylpyridin-2-yl)phenyl] 4-butyl-2-fluoranyl-benzoate

Systemtic Name: [4-(5-nonylpyridin-2-yl)phenyl] 4-butyl-2-fluoranyl-benzoate Openeye Name: [4-(5-nonyl-2-pyridyl)phenyl] 4-butyl-2-fluoro-benzoate CAS Name: 4-butyl-2-fluorobenzoic acid [4-(5-nonyl-2-pyridinyl)phenyl] ester IUPAC Name: [4-(5-nonylpyridin-2-yl)phenyl] 4-butyl-2-fluorobenzoate Traditional Name: 4-butyl-2-fluoro-benzoic acid [4-(5-nonyl-2-pyridyl)phenyl] ester Formula: C31H38FNO2 MolecularWeight: 475.637323

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CN=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=C(C=C(C=C3)CCCC)F

Isomeric SMILES

CCCCCCCCCC1=CN=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=C(C=C(C=C3)CCCC)F

InChI

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