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

Systemtic Name: (4-pentylphenyl) 3-fluoranyl-4-(5-pentylpyrimidin-2-yl)benzoate Openeye Name: (4-pentylphenyl) 3-fluoro-4-(5-pentylpyrimidin-2-yl)benzoate CAS Name: 3-fluoro-4-(5-pentyl-2-pyrimidinyl)benzoic acid (4-pentylphenyl) ester IUPAC Name: (4-pentylphenyl) 3-fluoro-4-(5-pentylpyrimidin-2-yl)benzoate Traditional Name: 4-(5-amylpyrimidin-2-yl)-3-fluoro-benzoic acid (4-amylphenyl) ester Formula: C27H31FN2O2 MolecularWeight: 434.545643

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)C3=NC=C(C=N3)CCCCC)F

Isomeric SMILES

CCCCCC1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)C3=NC=C(C=N3)CCCCC)F

InChI

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