hexyl 6-cyclopentyl-2,3-bis(fluoranyl)-4-(5-octylpyrimidin-2-yl)benzoate

Systemtic Name: hexyl 6-cyclopentyl-2,3-bis(fluoranyl)-4-(5-octylpyrimidin-2-yl)benzoate Openeye Name: hexyl 6-cyclopentyl-2,3-difluoro-4-(5-octylpyrimidin-2-yl)benzoate CAS Name: 6-cyclopentyl-2,3-difluoro-4-(5-octyl-2-pyrimidinyl)benzoic acid hexyl ester IUPAC Name: hexyl 6-cyclopentyl-2,3-difluoro-4-(5-octylpyrimidin-2-yl)benzoate Traditional Name: 6-cyclopentyl-2,3-difluoro-4-(5-octylpyrimidin-2-yl)benzoic acid hexyl ester Formula: C30H42F2N2O2 MolecularWeight: 500.663486

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(N=C1)C2=CC(=C(C(=C2F)F)C(=O)OCCCCCC)C3CCCC3

Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1)C2=CC(=C(C(=C2F)F)C(=O)OCCCCCC)C3CCCC3

InChI

InChI=1S/C30H42F2N2O2/c1-3-5-7-9-10-11-15-22-20-33-29(34-21-22)25-19-24(23-16-12-13-17-23)26(28(32)27(25)31)30(35)36-18-14-8-6-4-2/h19-21,23H,3-18H2,1-2H3