[4-(5-hexylpyrimidin-2-yl)phenyl] 4-(5-hexylpyrimidin-2-yl)benzoate

Systemtic Name: [4-(5-hexylpyrimidin-2-yl)phenyl] 4-(5-hexylpyrimidin-2-yl)benzoate Openeye Name: [4-(5-hexylpyrimidin-2-yl)phenyl] 4-(5-hexylpyrimidin-2-yl)benzoate CAS Name: 4-(5-hexyl-2-pyrimidinyl)benzoic acid [4-(5-hexyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-hexylpyrimidin-2-yl)phenyl] 4-(5-hexylpyrimidin-2-yl)benzoate Traditional Name: 4-(5-hexylpyrimidin-2-yl)benzoic acid [4-(5-hexylpyrimidin-2-yl)phenyl] ester Formula: C33H38N4O2 MolecularWeight: 522.68042

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C4=NC=C(C=N4)CCCCCC

Isomeric SMILES

CCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C4=NC=C(C=N4)CCCCCC

InChI

InChI=1S/C33H38N4O2/c1-3-5-7-9-11-25-21-34-31(35-22-25)27-13-15-29(16-14-27)33(38)39-30-19-17-28(18-20-30)32-36-23-26(24-37-32)12-10-8-6-4-2/h13-24H,3-12H2,1-2H3