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

Systemtic Name: [4-(2-decylpyrimidin-5-yl)-2-fluoranyl-phenyl] heptanoate Openeye Name: [4-(2-decylpyrimidin-5-yl)-2-fluoro-phenyl] heptanoate CAS Name: heptanoic acid [4-(2-decyl-5-pyrimidinyl)-2-fluorophenyl] ester IUPAC Name: [4-(2-decylpyrimidin-5-yl)-2-fluorophenyl] heptanoate Traditional Name: enanthic acid [4-(2-decylpyrimidin-5-yl)-2-fluoro-phenyl] ester Formula: C27H39FN2O2 MolecularWeight: 442.609163

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=NC=C(C=N1)C2=CC(=C(C=C2)OC(=O)CCCCCC)F

Isomeric SMILES

CCCCCCCCCCC1=NC=C(C=N1)C2=CC(=C(C=C2)OC(=O)CCCCCC)F

InChI

InChI=1S/C27H39FN2O2/c1-3-5-7-9-10-11-12-13-15-26-29-20-23(21-30-26)22-17-18-25(24(28)19-22)32-27(31)16-14-8-6-4-2/h17-21H,3-16H2,1-2H3