[4-(5-heptylpyrimidin-2-yl)phenyl] 2,3-bis(fluoranyl)-4-octoxy-benzoate

Systemtic Name: [4-(5-heptylpyrimidin-2-yl)phenyl] 2,3-bis(fluoranyl)-4-octoxy-benzoate Openeye Name: [4-(5-heptylpyrimidin-2-yl)phenyl] 2,3-difluoro-4-octoxy-benzoate CAS Name: 2,3-difluoro-4-octoxybenzoic acid [4-(5-heptyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-heptylpyrimidin-2-yl)phenyl] 2,3-difluoro-4-octoxybenzoate Traditional Name: 2,3-difluoro-4-octoxy-benzoic acid [4-(5-heptylpyrimidin-2-yl)phenyl] ester Formula: C32H40F2N2O3 MolecularWeight: 538.668406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C(=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=NC=C(C=N3)CCCCCCC)F)F

Isomeric SMILES

CCCCCCCCOC1=C(C(=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=NC=C(C=N3)CCCCCCC)F)F

InChI

InChI=1S/C32H40F2N2O3/c1-3-5-7-9-11-13-21-38-28-20-19-27(29(33)30(28)34)32(37)39-26-17-15-25(16-18-26)31-35-22-24(23-36-31)14-12-10-8-6-4-2/h15-20,22-23H,3-14,21H2,1-2H3