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

Systemtic Name: [2-(4-heptylphenyl)pyrimidin-5-yl] 2-fluoranyl-4-propoxy-benzoate Openeye Name: [2-(4-heptylphenyl)pyrimidin-5-yl] 2-fluoro-4-propoxy-benzoate CAS Name: 2-fluoro-4-propoxybenzoic acid [2-(4-heptylphenyl)-5-pyrimidinyl] ester IUPAC Name: [2-(4-heptylphenyl)pyrimidin-5-yl] 2-fluoro-4-propoxybenzoate Traditional Name: 2-fluoro-4-propoxy-benzoic acid [2-(4-heptylphenyl)pyrimidin-5-yl] ester Formula: C27H31FN2O3 MolecularWeight: 450.545043

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)C3=C(C=C(C=C3)OCCC)F

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)C3=C(C=C(C=C3)OCCC)F

InChI

InChI=1S/C27H31FN2O3/c1-3-5-6-7-8-9-20-10-12-21(13-11-20)26-29-18-23(19-30-26)33-27(31)24-15-14-22(17-25(24)28)32-16-4-2/h10-15,17-19H,3-9,16H2,1-2H3