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

Systemtic Name: [4-(5-nonylpyrimidin-2-yl)phenyl] 4-(5-heptylpyrimidin-2-yl)benzoate Openeye Name: [4-(5-nonylpyrimidin-2-yl)phenyl] 4-(5-heptylpyrimidin-2-yl)benzoate CAS Name: 4-(5-heptyl-2-pyrimidinyl)benzoic acid [4-(5-nonyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-nonylpyrimidin-2-yl)phenyl] 4-(5-heptylpyrimidin-2-yl)benzoate Traditional Name: 4-(5-heptylpyrimidin-2-yl)benzoic acid [4-(5-nonylpyrimidin-2-yl)phenyl] ester Formula: C37H46N4O2 MolecularWeight: 578.78674

Click to see the large picture

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)CCCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C37H46N4O2/c1-3-5-7-9-10-12-14-16-30-27-40-36(41-28-30)32-21-23-34(24-22-32)43-37(42)33-19-17-31(18-20-33)35-38-25-29(26-39-35)15-13-11-8-6-4-2/h17-28H,3-16H2,1-2H3