[2-(4-heptylphenyl)pyrimidin-5-yl] 2-fluoranyl-4-heptyl-benzoate

Systemtic Name: [2-(4-heptylphenyl)pyrimidin-5-yl] 2-fluoranyl-4-heptyl-benzoate Openeye Name: [2-(4-heptylphenyl)pyrimidin-5-yl] 2-fluoro-4-heptyl-benzoate CAS Name: 2-fluoro-4-heptylbenzoic acid [2-(4-heptylphenyl)-5-pyrimidinyl] ester IUPAC Name: [2-(4-heptylphenyl)pyrimidin-5-yl] 2-fluoro-4-heptylbenzoate Traditional Name: 2-fluoro-4-heptyl-benzoic acid [2-(4-heptylphenyl)pyrimidin-5-yl] ester Formula: C31H39FN2O2 MolecularWeight: 490.651963

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)C3=C(C=C(C=C3)CCCCCCC)F

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)C3=C(C=C(C=C3)CCCCCCC)F

InChI

InChI=1S/C31H39FN2O2/c1-3-5-7-9-11-13-24-15-18-26(19-16-24)30-33-22-27(23-34-30)36-31(35)28-20-17-25(21-29(28)32)14-12-10-8-6-4-2/h15-23H,3-14H2,1-2H3