methyl 4-[5-(4-decylphenyl)pyrimidin-2-yl]-2-fluoranyl-benzoate

Systemtic Name: methyl 4-[5-(4-decylphenyl)pyrimidin-2-yl]-2-fluoranyl-benzoate Openeye Name: methyl 4-[5-(4-decylphenyl)pyrimidin-2-yl]-2-fluoro-benzoate CAS Name: 4-[5-(4-decylphenyl)-2-pyrimidinyl]-2-fluorobenzoic acid methyl ester IUPAC Name: methyl 4-[5-(4-decylphenyl)pyrimidin-2-yl]-2-fluorobenzoate Traditional Name: 4-[5-(4-decylphenyl)pyrimidin-2-yl]-2-fluoro-benzoic acid methyl ester Formula: C28H33FN2O2 MolecularWeight: 448.572223

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H33FN2O2/c1-3-4-5-6-7-8-9-10-11-21-12-14-22(15-13-21)24-19-30-27(31-20-24)23-16-17-25(26(29)18-23)28(32)33-2/h12-20H,3-11H2,1-2H3