hexyl 2-cyclopentyl-6-fluoranyl-4-(5-nonylpyrimidin-2-yl)benzoate

Systemtic Name: hexyl 2-cyclopentyl-6-fluoranyl-4-(5-nonylpyrimidin-2-yl)benzoate Openeye Name: hexyl 2-cyclopentyl-6-fluoro-4-(5-nonylpyrimidin-2-yl)benzoate CAS Name: 2-cyclopentyl-6-fluoro-4-(5-nonyl-2-pyrimidinyl)benzoic acid hexyl ester IUPAC Name: hexyl 2-cyclopentyl-6-fluoro-4-(5-nonylpyrimidin-2-yl)benzoate Traditional Name: 2-cyclopentyl-6-fluoro-4-(5-nonylpyrimidin-2-yl)benzoic acid hexyl ester Formula: C31H45FN2O2 MolecularWeight: 496.699603

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CN=C(N=C1)C2=CC(=C(C(=C2)F)C(=O)OCCCCCC)C3CCCC3

Isomeric SMILES

CCCCCCCCCC1=CN=C(N=C1)C2=CC(=C(C(=C2)F)C(=O)OCCCCCC)C3CCCC3

InChI

InChI=1S/C31H45FN2O2/c1-3-5-7-9-10-11-12-16-24-22-33-30(34-23-24)26-20-27(25-17-13-14-18-25)29(28(32)21-26)31(35)36-19-15-8-6-4-2/h20-23,25H,3-19H2,1-2H3