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

Systemtic Name: [3-fluoranyl-4-(5-pentylpyrimidin-2-yl)phenyl] 4-hexylbenzoate Openeye Name: [3-fluoro-4-(5-pentylpyrimidin-2-yl)phenyl] 4-hexylbenzoate CAS Name: 4-hexylbenzoic acid [3-fluoro-4-(5-pentyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [3-fluoro-4-(5-pentylpyrimidin-2-yl)phenyl] 4-hexylbenzoate Traditional Name: 4-hexylbenzoic acid [4-(5-amylpyrimidin-2-yl)-3-fluoro-phenyl] ester Formula: C28H33FN2O2 MolecularWeight: 448.572223

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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)CCCCC)F

Isomeric SMILES

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

InChI

InChI=1S/C28H33FN2O2/c1-3-5-7-9-10-21-12-14-23(15-13-21)28(32)33-24-16-17-25(26(29)18-24)27-30-19-22(20-31-27)11-8-6-4-2/h12-20H,3-11H2,1-2H3