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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C4=NC=C(C=N4)CCCCCCCCC

Isomeric SMILES

CCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C4=NC=C(C=N4)CCCCCCCCC

InChI

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