[4-(5-hexylpyrimidin-2-yl)phenyl] 4-butoxy-2-fluoranyl-benzoate

Systemtic Name: [4-(5-hexylpyrimidin-2-yl)phenyl] 4-butoxy-2-fluoranyl-benzoate Openeye Name: [4-(5-hexylpyrimidin-2-yl)phenyl] 4-butoxy-2-fluoro-benzoate CAS Name: 4-butoxy-2-fluorobenzoic acid [4-(5-hexyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-hexylpyrimidin-2-yl)phenyl] 4-butoxy-2-fluorobenzoate Traditional Name: 4-butoxy-2-fluoro-benzoic acid [4-(5-hexylpyrimidin-2-yl)phenyl] ester Formula: C27H31FN2O3 MolecularWeight: 450.545043

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3=C(C=C(C=C3)OCCCC)F

Isomeric SMILES

CCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3=C(C=C(C=C3)OCCCC)F

InChI

InChI=1S/C27H31FN2O3/c1-3-5-7-8-9-20-18-29-26(30-19-20)21-10-12-22(13-11-21)33-27(31)24-15-14-23(17-25(24)28)32-16-6-4-2/h10-15,17-19H,3-9,16H2,1-2H3