(4-heptylphenyl) 2-fluoranyl-4-(5-hexylpyrimidin-2-yl)benzoate

Systemtic Name: (4-heptylphenyl) 2-fluoranyl-4-(5-hexylpyrimidin-2-yl)benzoate Openeye Name: (4-heptylphenyl) 2-fluoro-4-(5-hexylpyrimidin-2-yl)benzoate CAS Name: 2-fluoro-4-(5-hexyl-2-pyrimidinyl)benzoic acid (4-heptylphenyl) ester IUPAC Name: (4-heptylphenyl) 2-fluoro-4-(5-hexylpyrimidin-2-yl)benzoate Traditional Name: 2-fluoro-4-(5-hexylpyrimidin-2-yl)benzoic acid (4-heptylphenyl) ester Formula: C30H37FN2O2 MolecularWeight: 476.625383

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)OC(=O)C2=C(C=C(C=C2)C3=NC=C(C=N3)CCCCCC)F

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)OC(=O)C2=C(C=C(C=C2)C3=NC=C(C=N3)CCCCCC)F

InChI

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