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

Systemtic Name: [4-(5-heptylpyrimidin-2-yl)phenyl] 4-(5-heptylpyrimidin-2-yl)benzoate Openeye Name: [4-(5-heptylpyrimidin-2-yl)phenyl] 4-(5-heptylpyrimidin-2-yl)benzoate CAS Name: 4-(5-heptyl-2-pyrimidinyl)benzoic acid [4-(5-heptyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-heptylpyrimidin-2-yl)phenyl] 4-(5-heptylpyrimidin-2-yl)benzoate Traditional Name: 4-(5-heptylpyrimidin-2-yl)benzoic acid [4-(5-heptylpyrimidin-2-yl)phenyl] ester Formula: C35H42N4O2 MolecularWeight: 550.73358

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C4=NC=C(C=N4)CCCCCCC

Isomeric SMILES

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C4=NC=C(C=N4)CCCCCCC

InChI

InChI=1S/C35H42N4O2/c1-3-5-7-9-11-13-27-23-36-33(37-24-27)29-15-17-31(18-16-29)35(40)41-32-21-19-30(20-22-32)34-38-25-28(26-39-34)14-12-10-8-6-4-2/h15-26H,3-14H2,1-2H3