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

Systemtic Name: [2-(4-heptylphenyl)pyrimidin-5-yl] 2-fluoranyl-4-octoxy-benzoate Openeye Name: [2-(4-heptylphenyl)pyrimidin-5-yl] 2-fluoro-4-octoxy-benzoate CAS Name: 2-fluoro-4-octoxybenzoic acid [2-(4-heptylphenyl)-5-pyrimidinyl] ester IUPAC Name: [2-(4-heptylphenyl)pyrimidin-5-yl] 2-fluoro-4-octoxybenzoate Traditional Name: 2-fluoro-4-octoxy-benzoic acid [2-(4-heptylphenyl)pyrimidin-5-yl] ester Formula: C32H41FN2O3 MolecularWeight: 520.677943

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC(=C(C=C1)C(=O)OC2=CN=C(N=C2)C3=CC=C(C=C3)CCCCCCC)F

Isomeric SMILES

CCCCCCCCOC1=CC(=C(C=C1)C(=O)OC2=CN=C(N=C2)C3=CC=C(C=C3)CCCCCCC)F

InChI

InChI=1S/C32H41FN2O3/c1-3-5-7-9-11-13-21-37-27-19-20-29(30(33)22-27)32(36)38-28-23-34-31(35-24-28)26-17-15-25(16-18-26)14-12-10-8-6-4-2/h15-20,22-24H,3-14,21H2,1-2H3