2-(2-fluoranylpentoxy)ethyl 4-[4-(5-heptylpyrimidin-2-yl)phenyl]benzoate

Systemtic Name: 2-(2-fluoranylpentoxy)ethyl 4-[4-(5-heptylpyrimidin-2-yl)phenyl]benzoate Openeye Name: 2-(2-fluoropentoxy)ethyl 4-[4-(5-heptylpyrimidin-2-yl)phenyl]benzoate CAS Name: 4-[4-(5-heptyl-2-pyrimidinyl)phenyl]benzoic acid 2-(2-fluoropentoxy)ethyl ester IUPAC Name: 2-(2-fluoropentoxy)ethyl 4-[4-(5-heptylpyrimidin-2-yl)phenyl]benzoate Traditional Name: 4-[4-(5-heptylpyrimidin-2-yl)phenyl]benzoic acid 2-(2-fluoropentoxy)ethyl ester Formula: C31H39FN2O3 MolecularWeight: 506.651363

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)OCCOCC(CCC)F

Isomeric SMILES

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)OCCOCC(CCC)F

InChI

InChI=1S/C31H39FN2O3/c1-3-5-6-7-8-10-24-21-33-30(34-22-24)27-15-11-25(12-16-27)26-13-17-28(18-14-26)31(35)37-20-19-36-23-29(32)9-4-2/h11-18,21-22,29H,3-10,19-20,23H2,1-2H3