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

Systemtic Name: [4-(5-propylpyrimidin-2-yl)phenyl] 4-(5-nonylpyrimidin-2-yl)benzoate Openeye Name: [4-(5-propylpyrimidin-2-yl)phenyl] 4-(5-nonylpyrimidin-2-yl)benzoate CAS Name: 4-(5-nonyl-2-pyrimidinyl)benzoic acid [4-(5-propyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-propylpyrimidin-2-yl)phenyl] 4-(5-nonylpyrimidin-2-yl)benzoate Traditional Name: 4-(5-nonylpyrimidin-2-yl)benzoic acid [4-(5-propylpyrimidin-2-yl)phenyl] ester Formula: C33H38N4O2 MolecularWeight: 522.68042

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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)CCC

Isomeric SMILES

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

InChI

InChI=1S/C33H38N4O2/c1-3-5-6-7-8-9-10-12-26-23-36-31(37-24-26)27-13-15-29(16-14-27)33(38)39-30-19-17-28(18-20-30)32-34-21-25(11-4-2)22-35-32/h13-24H,3-12H2,1-2H3