(4-hexylphenyl) 4-(5-butylpyrimidin-2-yl)-3-fluoranyl-benzoate

Systemtic Name: (4-hexylphenyl) 4-(5-butylpyrimidin-2-yl)-3-fluoranyl-benzoate Openeye Name: (4-hexylphenyl) 4-(5-butylpyrimidin-2-yl)-3-fluoro-benzoate CAS Name: 4-(5-butyl-2-pyrimidinyl)-3-fluorobenzoic acid (4-hexylphenyl) ester IUPAC Name: (4-hexylphenyl) 4-(5-butylpyrimidin-2-yl)-3-fluorobenzoate Traditional Name: 4-(5-butylpyrimidin-2-yl)-3-fluoro-benzoic acid (4-hexylphenyl) ester Formula: C27H31FN2O2 MolecularWeight: 434.545643

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)C3=NC=C(C=N3)CCCC)F

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)C3=NC=C(C=N3)CCCC)F

InChI

InChI=1S/C27H31FN2O2/c1-3-5-7-8-10-20-11-14-23(15-12-20)32-27(31)22-13-16-24(25(28)17-22)26-29-18-21(19-30-26)9-6-4-2/h11-19H,3-10H2,1-2H3