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

Systemtic Name: [2-(4-pentylphenyl)pyrimidin-5-yl] 2-fluoranyl-4-octoxy-benzoate Openeye Name: [2-(4-pentylphenyl)pyrimidin-5-yl] 2-fluoro-4-octoxy-benzoate CAS Name: 2-fluoro-4-octoxybenzoic acid [2-(4-pentylphenyl)-5-pyrimidinyl] ester IUPAC Name: [2-(4-pentylphenyl)pyrimidin-5-yl] 2-fluoro-4-octoxybenzoate Traditional Name: 2-fluoro-4-octoxy-benzoic acid [2-(4-amylphenyl)pyrimidin-5-yl] ester Formula: C30H37FN2O3 MolecularWeight: 492.624783

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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)CCCCC)F

Isomeric SMILES

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

InChI

InChI=1S/C30H37FN2O3/c1-3-5-7-8-9-11-19-35-25-17-18-27(28(31)20-25)30(34)36-26-21-32-29(33-22-26)24-15-13-23(14-16-24)12-10-6-4-2/h13-18,20-22H,3-12,19H2,1-2H3