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

Systemtic Name: [2-(4-octylphenyl)pyrimidin-5-yl] 2-fluoranyl-4-propoxy-benzoate Openeye Name: [2-(4-octylphenyl)pyrimidin-5-yl] 2-fluoro-4-propoxy-benzoate CAS Name: 2-fluoro-4-propoxybenzoic acid [2-(4-octylphenyl)-5-pyrimidinyl] ester IUPAC Name: [2-(4-octylphenyl)pyrimidin-5-yl] 2-fluoro-4-propoxybenzoate Traditional Name: 2-fluoro-4-propoxy-benzoic acid [2-(4-octylphenyl)pyrimidin-5-yl] ester Formula: C28H33FN2O3 MolecularWeight: 464.571623

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)C3=C(C=C(C=C3)OCCC)F

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)C3=C(C=C(C=C3)OCCC)F

InChI

InChI=1S/C28H33FN2O3/c1-3-5-6-7-8-9-10-21-11-13-22(14-12-21)27-30-19-24(20-31-27)34-28(32)25-16-15-23(18-26(25)29)33-17-4-2/h11-16,18-20H,3-10,17H2,1-2H3