(4-heptylphenyl) 4-(5-decylpyrimidin-2-yl)-3-fluoranyl-benzoate

Systemtic Name: (4-heptylphenyl) 4-(5-decylpyrimidin-2-yl)-3-fluoranyl-benzoate Openeye Name: (4-heptylphenyl) 4-(5-decylpyrimidin-2-yl)-3-fluoro-benzoate CAS Name: 4-(5-decyl-2-pyrimidinyl)-3-fluorobenzoic acid (4-heptylphenyl) ester IUPAC Name: (4-heptylphenyl) 4-(5-decylpyrimidin-2-yl)-3-fluorobenzoate Traditional Name: 4-(5-decylpyrimidin-2-yl)-3-fluoro-benzoic acid (4-heptylphenyl) ester Formula: C34H45FN2O2 MolecularWeight: 532.731703

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CN=C(N=C1)C2=C(C=C(C=C2)C(=O)OC3=CC=C(C=C3)CCCCCCC)F

Isomeric SMILES

CCCCCCCCCCC1=CN=C(N=C1)C2=C(C=C(C=C2)C(=O)OC3=CC=C(C=C3)CCCCCCC)F

InChI

InChI=1S/C34H45FN2O2/c1-3-5-7-9-10-11-13-15-17-28-25-36-33(37-26-28)31-23-20-29(24-32(31)35)34(38)39-30-21-18-27(19-22-30)16-14-12-8-6-4-2/h18-26H,3-17H2,1-2H3