2-fluoranyloctyl 4-[5-[2-(4-pentylphenyl)ethynyl]pyrimidin-2-yl]benzoate

Systemtic Name: 2-fluoranyloctyl 4-[5-[2-(4-pentylphenyl)ethynyl]pyrimidin-2-yl]benzoate Openeye Name: 2-fluorooctyl 4-[5-[2-(4-pentylphenyl)ethynyl]pyrimidin-2-yl]benzoate CAS Name: 4-[5-[2-(4-pentylphenyl)ethynyl]-2-pyrimidinyl]benzoic acid 2-fluorooctyl ester IUPAC Name: 2-fluorooctyl 4-[5-[2-(4-pentylphenyl)ethynyl]pyrimidin-2-yl]benzoate Traditional Name: 4-[5-[2-(4-amylphenyl)ethynyl]pyrimidin-2-yl]benzoic acid 2-fluorooctyl ester Formula: C32H37FN2O2 MolecularWeight: 500.646783

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(COC(=O)C1=CC=C(C=C1)C2=NC=C(C=N2)C#CC3=CC=C(C=C3)CCCCC)F

Isomeric SMILES

CCCCCCC(COC(=O)C1=CC=C(C=C1)C2=NC=C(C=N2)C#CC3=CC=C(C=C3)CCCCC)F

InChI

InChI=1S/C32H37FN2O2/c1-3-5-7-9-11-30(33)24-37-32(36)29-20-18-28(19-21-29)31-34-22-27(23-35-31)17-16-26-14-12-25(13-15-26)10-8-6-4-2/h12-15,18-23,30H,3-11,24H2,1-2H3