(4-hexoxyphenyl) 2,3-bis(fluoranyl)-4-(5-heptylpyrimidin-2-yl)benzoate

Systemtic Name: (4-hexoxyphenyl) 2,3-bis(fluoranyl)-4-(5-heptylpyrimidin-2-yl)benzoate Openeye Name: (4-hexoxyphenyl) 2,3-difluoro-4-(5-heptylpyrimidin-2-yl)benzoate CAS Name: 2,3-difluoro-4-(5-heptyl-2-pyrimidinyl)benzoic acid (4-hexoxyphenyl) ester IUPAC Name: (4-hexoxyphenyl) 2,3-difluoro-4-(5-heptylpyrimidin-2-yl)benzoate Traditional Name: 2,3-difluoro-4-(5-heptylpyrimidin-2-yl)benzoic acid (4-hexoxyphenyl) ester Formula: C30H36F2N2O3 MolecularWeight: 510.615246

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(N=C1)C2=C(C(=C(C=C2)C(=O)OC3=CC=C(C=C3)OCCCCCC)F)F

Isomeric SMILES

CCCCCCCC1=CN=C(N=C1)C2=C(C(=C(C=C2)C(=O)OC3=CC=C(C=C3)OCCCCCC)F)F

InChI

InChI=1S/C30H36F2N2O3/c1-3-5-7-9-10-12-22-20-33-29(34-21-22)25-17-18-26(28(32)27(25)31)30(35)37-24-15-13-23(14-16-24)36-19-11-8-6-4-2/h13-18,20-21H,3-12,19H2,1-2H3