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

Systemtic Name: [4-(5-nonylpyrimidin-2-yl)phenyl] 4-(5-hexylpyrimidin-2-yl)benzoate Openeye Name: [4-(5-nonylpyrimidin-2-yl)phenyl] 4-(5-hexylpyrimidin-2-yl)benzoate CAS Name: 4-(5-hexyl-2-pyrimidinyl)benzoic acid [4-(5-nonyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-nonylpyrimidin-2-yl)phenyl] 4-(5-hexylpyrimidin-2-yl)benzoate Traditional Name: 4-(5-hexylpyrimidin-2-yl)benzoic acid [4-(5-nonylpyrimidin-2-yl)phenyl] ester Formula: C36H44N4O2 MolecularWeight: 564.76016

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)C4=NC=C(C=N4)CCCCCC

Isomeric SMILES

CCCCCCCCCC1=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/C36H44N4O2/c1-3-5-7-9-10-11-13-15-29-26-39-35(40-27-29)31-20-22-33(23-21-31)42-36(41)32-18-16-30(17-19-32)34-37-24-28(25-38-34)14-12-8-6-4-2/h16-27H,3-15H2,1-2H3