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

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

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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)CCCCCCC

Isomeric SMILES

CCCCCCCCCC1=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/C37H46N4O2/c1-3-5-7-9-10-12-14-16-30-25-38-35(39-26-30)31-17-19-33(20-18-31)37(42)43-34-23-21-32(22-24-34)36-40-27-29(28-41-36)15-13-11-8-6-4-2/h17-28H,3-16H2,1-2H3