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

Systemtic Name: [4-(5-decylpyrimidin-2-yl)-3-fluoranyl-phenyl] 4-butylbenzoate Openeye Name: [4-(5-decylpyrimidin-2-yl)-3-fluoro-phenyl] 4-butylbenzoate CAS Name: 4-butylbenzoic acid [4-(5-decyl-2-pyrimidinyl)-3-fluorophenyl] ester IUPAC Name: [4-(5-decylpyrimidin-2-yl)-3-fluorophenyl] 4-butylbenzoate Traditional Name: 4-butylbenzoic acid [4-(5-decylpyrimidin-2-yl)-3-fluoro-phenyl] ester Formula: C31H39FN2O2 MolecularWeight: 490.651963

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CN=C(N=C1)C2=C(C=C(C=C2)OC(=O)C3=CC=C(C=C3)CCCC)F

Isomeric SMILES

CCCCCCCCCCC1=CN=C(N=C1)C2=C(C=C(C=C2)OC(=O)C3=CC=C(C=C3)CCCC)F

InChI

InChI=1S/C31H39FN2O2/c1-3-5-7-8-9-10-11-12-14-25-22-33-30(34-23-25)28-20-19-27(21-29(28)32)36-31(35)26-17-15-24(16-18-26)13-6-4-2/h15-23H,3-14H2,1-2H3