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

Systemtic Name: [4-(5-pentylpyrimidin-2-yl)phenyl] 4-butoxy-2-fluoranyl-benzoate Openeye Name: [4-(5-pentylpyrimidin-2-yl)phenyl] 4-butoxy-2-fluoro-benzoate CAS Name: 4-butoxy-2-fluorobenzoic acid [4-(5-pentyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-pentylpyrimidin-2-yl)phenyl] 4-butoxy-2-fluorobenzoate Traditional Name: 4-butoxy-2-fluoro-benzoic acid [4-(5-amylpyrimidin-2-yl)phenyl] ester Formula: C26H29FN2O3 MolecularWeight: 436.518463

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3=C(C=C(C=C3)OCCCC)F

Isomeric SMILES

CCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3=C(C=C(C=C3)OCCCC)F

InChI

InChI=1S/C26H29FN2O3/c1-3-5-7-8-19-17-28-25(29-18-19)20-9-11-21(12-10-20)32-26(30)23-14-13-22(16-24(23)27)31-15-6-4-2/h9-14,16-18H,3-8,15H2,1-2H3