[4-(5-decylpyrimidin-2-yl)phenyl] 4-(5-octylpyrimidin-2-yl)benzoate

Systemtic Name: [4-(5-decylpyrimidin-2-yl)phenyl] 4-(5-octylpyrimidin-2-yl)benzoate Openeye Name: [4-(5-decylpyrimidin-2-yl)phenyl] 4-(5-octylpyrimidin-2-yl)benzoate CAS Name: 4-(5-octyl-2-pyrimidinyl)benzoic acid [4-(5-decyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-decylpyrimidin-2-yl)phenyl] 4-(5-octylpyrimidin-2-yl)benzoate Traditional Name: 4-(5-octylpyrimidin-2-yl)benzoic acid [4-(5-decylpyrimidin-2-yl)phenyl] ester Formula: C39H50N4O2 MolecularWeight: 606.8399

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)C4=NC=C(C=N4)CCCCCCCC

Isomeric SMILES

CCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)C4=NC=C(C=N4)CCCCCCCC

InChI

InChI=1S/C39H50N4O2/c1-3-5-7-9-11-12-14-16-18-32-29-42-38(43-30-32)34-23-25-36(26-24-34)45-39(44)35-21-19-33(20-22-35)37-40-27-31(28-41-37)17-15-13-10-8-6-4-2/h19-30H,3-18H2,1-2H3