[2-(4-nonylphenyl)pyrimidin-5-yl] 2-fluoranyl-4-heptyl-benzoate

Systemtic Name: [2-(4-nonylphenyl)pyrimidin-5-yl] 2-fluoranyl-4-heptyl-benzoate Openeye Name: [2-(4-nonylphenyl)pyrimidin-5-yl] 2-fluoro-4-heptyl-benzoate CAS Name: 2-fluoro-4-heptylbenzoic acid [2-(4-nonylphenyl)-5-pyrimidinyl] ester IUPAC Name: [2-(4-nonylphenyl)pyrimidin-5-yl] 2-fluoro-4-heptylbenzoate Traditional Name: 2-fluoro-4-heptyl-benzoic acid [2-(4-nonylphenyl)pyrimidin-5-yl] ester Formula: C33H43FN2O2 MolecularWeight: 518.705123

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)C3=C(C=C(C=C3)CCCCCCC)F

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)C3=C(C=C(C=C3)CCCCCCC)F

InChI

InChI=1S/C33H43FN2O2/c1-3-5-7-9-10-12-13-15-26-17-20-28(21-18-26)32-35-24-29(25-36-32)38-33(37)30-22-19-27(23-31(30)34)16-14-11-8-6-4-2/h17-25H,3-16H2,1-2H3