[3-fluoranyl-4-(5-hexylpyrimidin-2-yl)phenyl] 4-hexylbenzoate

Systemtic Name: [3-fluoranyl-4-(5-hexylpyrimidin-2-yl)phenyl] 4-hexylbenzoate Openeye Name: [3-fluoro-4-(5-hexylpyrimidin-2-yl)phenyl] 4-hexylbenzoate CAS Name: 4-hexylbenzoic acid [3-fluoro-4-(5-hexyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [3-fluoro-4-(5-hexylpyrimidin-2-yl)phenyl] 4-hexylbenzoate Traditional Name: 4-hexylbenzoic acid [3-fluoro-4-(5-hexylpyrimidin-2-yl)phenyl] ester Formula: C29H35FN2O2 MolecularWeight: 462.598803

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C(=O)OC2=CC(=C(C=C2)C3=NC=C(C=N3)CCCCCC)F

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C(=O)OC2=CC(=C(C=C2)C3=NC=C(C=N3)CCCCCC)F

InChI

InChI=1S/C29H35FN2O2/c1-3-5-7-9-11-22-13-15-24(16-14-22)29(33)34-25-17-18-26(27(30)19-25)28-31-20-23(21-32-28)12-10-8-6-4-2/h13-21H,3-12H2,1-2H3