[4-(5-decylpyrimidin-2-yl)-2-fluoranyl-phenyl] 2-methylbutanoate

Systemtic Name: [4-(5-decylpyrimidin-2-yl)-2-fluoranyl-phenyl] 2-methylbutanoate Openeye Name: [4-(5-decylpyrimidin-2-yl)-2-fluoro-phenyl] 2-methylbutanoate CAS Name: 2-methylbutanoic acid [4-(5-decyl-2-pyrimidinyl)-2-fluorophenyl] ester IUPAC Name: [4-(5-decylpyrimidin-2-yl)-2-fluorophenyl] 2-methylbutanoate Traditional Name: 2-methylbutyric acid [4-(5-decylpyrimidin-2-yl)-2-fluoro-phenyl] ester Formula: C25H35FN2O2 MolecularWeight: 414.556003

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H35FN2O2/c1-4-6-7-8-9-10-11-12-13-20-17-27-24(28-18-20)21-14-15-23(22(26)16-21)30-25(29)19(3)5-2/h14-19H,4-13H2,1-3H3