[3-fluoranyl-4-(5-heptylpyrimidin-2-yl)phenyl] 4-pentylbenzoate

Systemtic Name: [3-fluoranyl-4-(5-heptylpyrimidin-2-yl)phenyl] 4-pentylbenzoate Openeye Name: [3-fluoro-4-(5-heptylpyrimidin-2-yl)phenyl] 4-pentylbenzoate CAS Name: 4-pentylbenzoic acid [3-fluoro-4-(5-heptyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [3-fluoro-4-(5-heptylpyrimidin-2-yl)phenyl] 4-pentylbenzoate Traditional Name: 4-amylbenzoic acid [3-fluoro-4-(5-heptylpyrimidin-2-yl)phenyl] ester Formula: C29H35FN2O2 MolecularWeight: 462.598803

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(N=C1)C2=C(C=C(C=C2)OC(=O)C3=CC=C(C=C3)CCCCC)F

Isomeric SMILES

CCCCCCCC1=CN=C(N=C1)C2=C(C=C(C=C2)OC(=O)C3=CC=C(C=C3)CCCCC)F

InChI

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