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

Systemtic Name: [3-fluoranyl-4-(5-heptylpyrimidin-2-yl)phenyl] 4-hexylbenzoate Openeye Name: [3-fluoro-4-(5-heptylpyrimidin-2-yl)phenyl] 4-hexylbenzoate CAS Name: 4-hexylbenzoic acid [3-fluoro-4-(5-heptyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [3-fluoro-4-(5-heptylpyrimidin-2-yl)phenyl] 4-hexylbenzoate Traditional Name: 4-hexylbenzoic acid [3-fluoro-4-(5-heptylpyrimidin-2-yl)phenyl] ester Formula: C30H37FN2O2 MolecularWeight: 476.625383

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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)CCCCCC)F

Isomeric SMILES

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

InChI

InChI=1S/C30H37FN2O2/c1-3-5-7-9-11-13-24-21-32-29(33-22-24)27-19-18-26(20-28(27)31)35-30(34)25-16-14-23(15-17-25)12-10-8-6-4-2/h14-22H,3-13H2,1-2H3