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

Systemtic Name: [3-fluoranyl-4-(5-heptylpyrimidin-2-yl)phenyl] 4-heptylbenzoate Openeye Name: [3-fluoro-4-(5-heptylpyrimidin-2-yl)phenyl] 4-heptylbenzoate CAS Name: 4-heptylbenzoic acid [3-fluoro-4-(5-heptyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [3-fluoro-4-(5-heptylpyrimidin-2-yl)phenyl] 4-heptylbenzoate Traditional Name: 4-heptylbenzoic acid [3-fluoro-4-(5-heptylpyrimidin-2-yl)phenyl] ester Formula: C31H39FN2O2 MolecularWeight: 490.651963

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C(=O)OC2=CC(=C(C=C2)C3=NC=C(C=N3)CCCCCCC)F

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C(=O)OC2=CC(=C(C=C2)C3=NC=C(C=N3)CCCCCCC)F

InChI

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