1-[2-[4-(4-dodecylphenyl)phenyl]pyrimidin-5-yl]oxypropan-2-yl octanoate

Systemtic Name: 1-[2-[4-(4-dodecylphenyl)phenyl]pyrimidin-5-yl]oxypropan-2-yl octanoate Openeye Name: [2-[2-[4-(4-dodecylphenyl)phenyl]pyrimidin-5-yl]oxy-1-methyl-ethyl] octanoate CAS Name: octanoic acid 1-[[2-[4-(4-dodecylphenyl)phenyl]-5-pyrimidinyl]oxy]propan-2-yl ester IUPAC Name: 1-[2-[4-(4-dodecylphenyl)phenyl]pyrimidin-5-yl]oxypropan-2-yl octanoate Traditional Name: caprylic acid [2-[2-[4-(4-laurylphenyl)phenyl]pyrimidin-5-yl]oxy-1-methyl-ethyl] ester Formula: C39H56N2O3 MolecularWeight: 600.87354

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC=C(C=N3)OCC(C)OC(=O)CCCCCCC

Isomeric SMILES

CCCCCCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC=C(C=N3)OCC(C)OC(=O)CCCCCCC

InChI

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