[3-fluoranyl-4-(5-nonylpyrimidin-2-yl)phenyl] 4-decylbenzoate

Systemtic Name: [3-fluoranyl-4-(5-nonylpyrimidin-2-yl)phenyl] 4-decylbenzoate Openeye Name: [3-fluoro-4-(5-nonylpyrimidin-2-yl)phenyl] 4-decylbenzoate CAS Name: 4-decylbenzoic acid [3-fluoro-4-(5-nonyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [3-fluoro-4-(5-nonylpyrimidin-2-yl)phenyl] 4-decylbenzoate Traditional Name: 4-decylbenzoic acid [3-fluoro-4-(5-nonylpyrimidin-2-yl)phenyl] ester Formula: C36H49FN2O2 MolecularWeight: 560.784863

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CC=C(C=C1)C(=O)OC2=CC(=C(C=C2)C3=NC=C(C=N3)CCCCCCCCC)F

Isomeric SMILES

CCCCCCCCCCC1=CC=C(C=C1)C(=O)OC2=CC(=C(C=C2)C3=NC=C(C=N3)CCCCCCCCC)F

InChI

InChI=1S/C36H49FN2O2/c1-3-5-7-9-11-13-14-16-18-29-20-22-31(23-21-29)36(40)41-32-24-25-33(34(37)26-32)35-38-27-30(28-39-35)19-17-15-12-10-8-6-4-2/h20-28H,3-19H2,1-2H3