[2-fluoranyl-4-(5-octylpyrimidin-2-yl)phenyl] 4-octylbenzoate

Systemtic Name: [2-fluoranyl-4-(5-octylpyrimidin-2-yl)phenyl] 4-octylbenzoate Openeye Name: [2-fluoro-4-(5-octylpyrimidin-2-yl)phenyl] 4-octylbenzoate CAS Name: 4-octylbenzoic acid [2-fluoro-4-(5-octyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [2-fluoro-4-(5-octylpyrimidin-2-yl)phenyl] 4-octylbenzoate Traditional Name: 4-octylbenzoic acid [2-fluoro-4-(5-octylpyrimidin-2-yl)phenyl] ester Formula: C33H43FN2O2 MolecularWeight: 518.705123

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)C3=NC=C(C=N3)CCCCCCCC)F

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)C3=NC=C(C=N3)CCCCCCCC)F

InChI

InChI=1S/C33H43FN2O2/c1-3-5-7-9-11-13-15-26-17-19-28(20-18-26)33(37)38-31-22-21-29(23-30(31)34)32-35-24-27(25-36-32)16-14-12-10-8-6-4-2/h17-25H,3-16H2,1-2H3