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

Systemtic Name: [4-(5-decylpyrimidin-2-yl)-3-fluoranyl-phenyl] 4-hexylbenzoate Openeye Name: [4-(5-decylpyrimidin-2-yl)-3-fluoro-phenyl] 4-hexylbenzoate CAS Name: 4-hexylbenzoic acid [4-(5-decyl-2-pyrimidinyl)-3-fluorophenyl] ester IUPAC Name: [4-(5-decylpyrimidin-2-yl)-3-fluorophenyl] 4-hexylbenzoate Traditional Name: 4-hexylbenzoic acid [4-(5-decylpyrimidin-2-yl)-3-fluoro-phenyl] ester Formula: C33H43FN2O2 MolecularWeight: 518.705123

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CN=C(N=C1)C2=C(C=C(C=C2)OC(=O)C3=CC=C(C=C3)CCCCCC)F

Isomeric SMILES

CCCCCCCCCCC1=CN=C(N=C1)C2=C(C=C(C=C2)OC(=O)C3=CC=C(C=C3)CCCCCC)F

InChI

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