[2,3-bis(fluoranyl)-4-hexoxy-phenyl] 4-(5-heptylpyrimidin-2-yl)benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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