[4-[4-(5-dodecoxypyrimidin-2-yl)phenyl]phenyl] 5-methyldecanoate

Systemtic Name: [4-[4-(5-dodecoxypyrimidin-2-yl)phenyl]phenyl] 5-methyldecanoate Openeye Name: [4-[4-(5-dodecoxypyrimidin-2-yl)phenyl]phenyl] 5-methyldecanoate CAS Name: 5-methyldecanoic acid [4-[4-(5-dodecoxy-2-pyrimidinyl)phenyl]phenyl] ester IUPAC Name: [4-[4-(5-dodecoxypyrimidin-2-yl)phenyl]phenyl] 5-methyldecanoate Traditional Name: 5-methylcapric acid [4-[4-(5-lauryloxypyrimidin-2-yl)phenyl]phenyl] ester Formula: C39H56N2O3 MolecularWeight: 600.87354

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)OC(=O)CCCC(C)CCCCC

Isomeric SMILES

CCCCCCCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)OC(=O)CCCC(C)CCCCC

InChI

InChI=1S/C39H56N2O3/c1-4-6-8-9-10-11-12-13-14-16-29-43-37-30-40-39(41-31-37)35-23-21-33(22-24-35)34-25-27-36(28-26-34)44-38(42)20-17-19-32(3)18-15-7-5-2/h21-28,30-32H,4-20,29H2,1-3H3