[3-fluoranyl-4-(5-heptylpyrimidin-2-yl)phenyl] 4-butylbenzoate

Systemtic Name: [3-fluoranyl-4-(5-heptylpyrimidin-2-yl)phenyl] 4-butylbenzoate Openeye Name: [3-fluoro-4-(5-heptylpyrimidin-2-yl)phenyl] 4-butylbenzoate CAS Name: 4-butylbenzoic acid [3-fluoro-4-(5-heptyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [3-fluoro-4-(5-heptylpyrimidin-2-yl)phenyl] 4-butylbenzoate Traditional Name: 4-butylbenzoic acid [3-fluoro-4-(5-heptylpyrimidin-2-yl)phenyl] ester Formula: C28H33FN2O2 MolecularWeight: 448.572223

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(N=C1)C2=C(C=C(C=C2)OC(=O)C3=CC=C(C=C3)CCCC)F

Isomeric SMILES

CCCCCCCC1=CN=C(N=C1)C2=C(C=C(C=C2)OC(=O)C3=CC=C(C=C3)CCCC)F

InChI

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