methyl 4-[5-(3-fluoranyl-4-octoxy-phenyl)pyrimidin-2-yl]benzoate

Systemtic Name: methyl 4-[5-(3-fluoranyl-4-octoxy-phenyl)pyrimidin-2-yl]benzoate Openeye Name: methyl 4-[5-(3-fluoro-4-octoxy-phenyl)pyrimidin-2-yl]benzoate CAS Name: 4-[5-(3-fluoro-4-octoxyphenyl)-2-pyrimidinyl]benzoic acid methyl ester IUPAC Name: methyl 4-[5-(3-fluoro-4-octoxyphenyl)pyrimidin-2-yl]benzoate Traditional Name: 4-[5-(3-fluoro-4-octoxy-phenyl)pyrimidin-2-yl]benzoic acid methyl ester Formula: C26H29FN2O3 MolecularWeight: 436.518463

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)C2=CN=C(N=C2)C3=CC=C(C=C3)C(=O)OC)F

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)C2=CN=C(N=C2)C3=CC=C(C=C3)C(=O)OC)F

InChI

InChI=1S/C26H29FN2O3/c1-3-4-5-6-7-8-15-32-24-14-13-21(16-23(24)27)22-17-28-25(29-18-22)19-9-11-20(12-10-19)26(30)31-2/h9-14,16-18H,3-8,15H2,1-2H3