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

Systemtic Name: [2-(4-pentylphenyl)pyrimidin-5-yl] 2-fluoranyl-4-propoxy-benzoate Openeye Name: [2-(4-pentylphenyl)pyrimidin-5-yl] 2-fluoro-4-propoxy-benzoate CAS Name: 2-fluoro-4-propoxybenzoic acid [2-(4-pentylphenyl)-5-pyrimidinyl] ester IUPAC Name: [2-(4-pentylphenyl)pyrimidin-5-yl] 2-fluoro-4-propoxybenzoate Traditional Name: 2-fluoro-4-propoxy-benzoic acid [2-(4-amylphenyl)pyrimidin-5-yl] ester Formula: C25H27FN2O3 MolecularWeight: 422.491883

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)C3=C(C=C(C=C3)OCCC)F

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)C3=C(C=C(C=C3)OCCC)F

InChI

InChI=1S/C25H27FN2O3/c1-3-5-6-7-18-8-10-19(11-9-18)24-27-16-21(17-28-24)31-25(29)22-13-12-20(15-23(22)26)30-14-4-2/h8-13,15-17H,3-7,14H2,1-2H3