[2-(4-nonylphenyl)pyrimidin-5-yl] 4-decoxy-2-fluoranyl-benzoate

Systemtic Name: [2-(4-nonylphenyl)pyrimidin-5-yl] 4-decoxy-2-fluoranyl-benzoate Openeye Name: [2-(4-nonylphenyl)pyrimidin-5-yl] 4-decoxy-2-fluoro-benzoate CAS Name: 4-decoxy-2-fluorobenzoic acid [2-(4-nonylphenyl)-5-pyrimidinyl] ester IUPAC Name: [2-(4-nonylphenyl)pyrimidin-5-yl] 4-decoxy-2-fluorobenzoate Traditional Name: 4-decoxy-2-fluoro-benzoic acid [2-(4-nonylphenyl)pyrimidin-5-yl] ester Formula: C36H49FN2O3 MolecularWeight: 576.784263

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC(=C(C=C1)C(=O)OC2=CN=C(N=C2)C3=CC=C(C=C3)CCCCCCCCC)F

Isomeric SMILES

CCCCCCCCCCOC1=CC(=C(C=C1)C(=O)OC2=CN=C(N=C2)C3=CC=C(C=C3)CCCCCCCCC)F

InChI

InChI=1S/C36H49FN2O3/c1-3-5-7-9-11-13-15-17-25-41-31-23-24-33(34(37)26-31)36(40)42-32-27-38-35(39-28-32)30-21-19-29(20-22-30)18-16-14-12-10-8-6-4-2/h19-24,26-28H,3-18,25H2,1-2H3