[3-fluoranyl-4-(5-propylpyrimidin-2-yl)phenyl] 4-pentylbenzoate

Systemtic Name: [3-fluoranyl-4-(5-propylpyrimidin-2-yl)phenyl] 4-pentylbenzoate Openeye Name: [3-fluoro-4-(5-propylpyrimidin-2-yl)phenyl] 4-pentylbenzoate CAS Name: 4-pentylbenzoic acid [3-fluoro-4-(5-propyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [3-fluoro-4-(5-propylpyrimidin-2-yl)phenyl] 4-pentylbenzoate Traditional Name: 4-amylbenzoic acid [3-fluoro-4-(5-propylpyrimidin-2-yl)phenyl] ester Formula: C25H27FN2O2 MolecularWeight: 406.492483

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)OC2=CC(=C(C=C2)C3=NC=C(C=N3)CCC)F

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)OC2=CC(=C(C=C2)C3=NC=C(C=N3)CCC)F

InChI

InChI=1S/C25H27FN2O2/c1-3-5-6-8-18-9-11-20(12-10-18)25(29)30-21-13-14-22(23(26)15-21)24-27-16-19(7-4-2)17-28-24/h9-17H,3-8H2,1-2H3