(4-octylphenyl) 3-fluoranyl-4-(5-pentylpyrimidin-2-yl)benzoate

Systemtic Name: (4-octylphenyl) 3-fluoranyl-4-(5-pentylpyrimidin-2-yl)benzoate Openeye Name: (4-octylphenyl) 3-fluoro-4-(5-pentylpyrimidin-2-yl)benzoate CAS Name: 3-fluoro-4-(5-pentyl-2-pyrimidinyl)benzoic acid (4-octylphenyl) ester IUPAC Name: (4-octylphenyl) 3-fluoro-4-(5-pentylpyrimidin-2-yl)benzoate Traditional Name: 4-(5-amylpyrimidin-2-yl)-3-fluoro-benzoic acid (4-octylphenyl) ester Formula: C30H37FN2O2 MolecularWeight: 476.625383

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)C3=NC=C(C=N3)CCCCC)F

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)C3=NC=C(C=N3)CCCCC)F

InChI

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