[3-fluoranyl-4-(5-heptylpyrimidin-2-yl)phenyl] 4-octylbenzoate

Systemtic Name: [3-fluoranyl-4-(5-heptylpyrimidin-2-yl)phenyl] 4-octylbenzoate Openeye Name: [3-fluoro-4-(5-heptylpyrimidin-2-yl)phenyl] 4-octylbenzoate CAS Name: 4-octylbenzoic acid [3-fluoro-4-(5-heptyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [3-fluoro-4-(5-heptylpyrimidin-2-yl)phenyl] 4-octylbenzoate Traditional Name: 4-octylbenzoic acid [3-fluoro-4-(5-heptylpyrimidin-2-yl)phenyl] ester Formula: C32H41FN2O2 MolecularWeight: 504.678543

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C(=O)OC2=CC(=C(C=C2)C3=NC=C(C=N3)CCCCCCC)F

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C(=O)OC2=CC(=C(C=C2)C3=NC=C(C=N3)CCCCCCC)F

InChI

InChI=1S/C32H41FN2O2/c1-3-5-7-9-11-12-14-25-16-18-27(19-17-25)32(36)37-28-20-21-29(30(33)22-28)31-34-23-26(24-35-31)15-13-10-8-6-4-2/h16-24H,3-15H2,1-2H3