[2-(4-hexylphenyl)pyrimidin-5-yl] 2-fluoranyl-4-propoxy-benzoate

Systemtic Name: [2-(4-hexylphenyl)pyrimidin-5-yl] 2-fluoranyl-4-propoxy-benzoate Openeye Name: [2-(4-hexylphenyl)pyrimidin-5-yl] 2-fluoro-4-propoxy-benzoate CAS Name: 2-fluoro-4-propoxybenzoic acid [2-(4-hexylphenyl)-5-pyrimidinyl] ester IUPAC Name: [2-(4-hexylphenyl)pyrimidin-5-yl] 2-fluoro-4-propoxybenzoate Traditional Name: 2-fluoro-4-propoxy-benzoic acid [2-(4-hexylphenyl)pyrimidin-5-yl] ester Formula: C26H29FN2O3 MolecularWeight: 436.518463

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)C3=C(C=C(C=C3)OCCC)F

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)C3=C(C=C(C=C3)OCCC)F

InChI

InChI=1S/C26H29FN2O3/c1-3-5-6-7-8-19-9-11-20(12-10-19)25-28-17-22(18-29-25)32-26(30)23-14-13-21(16-24(23)27)31-15-4-2/h9-14,16-18H,3-8,15H2,1-2H3