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

Systemtic Name: [4-(5-heptylpyrimidin-2-yl)phenyl] 4-(5-hexylpyrimidin-2-yl)benzoate Openeye Name: [4-(5-heptylpyrimidin-2-yl)phenyl] 4-(5-hexylpyrimidin-2-yl)benzoate CAS Name: 4-(5-hexyl-2-pyrimidinyl)benzoic acid [4-(5-heptyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-heptylpyrimidin-2-yl)phenyl] 4-(5-hexylpyrimidin-2-yl)benzoate Traditional Name: 4-(5-hexylpyrimidin-2-yl)benzoic acid [4-(5-heptylpyrimidin-2-yl)phenyl] ester Formula: C34H40N4O2 MolecularWeight: 536.707

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)C4=NC=C(C=N4)CCCCCC

Isomeric SMILES

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)C4=NC=C(C=N4)CCCCCC

InChI

InChI=1S/C34H40N4O2/c1-3-5-7-9-11-13-27-24-37-33(38-25-27)29-18-20-31(21-19-29)40-34(39)30-16-14-28(15-17-30)32-35-22-26(23-36-32)12-10-8-6-4-2/h14-25H,3-13H2,1-2H3