1-[2-[4-(4-undecylphenyl)phenyl]pyrimidin-5-yl]oxypropan-2-yl hexanoate

Systemtic Name: 1-[2-[4-(4-undecylphenyl)phenyl]pyrimidin-5-yl]oxypropan-2-yl hexanoate Openeye Name: [1-methyl-2-[2-[4-(4-undecylphenyl)phenyl]pyrimidin-5-yl]oxy-ethyl] hexanoate CAS Name: hexanoic acid 1-[[2-[4-(4-undecylphenyl)phenyl]-5-pyrimidinyl]oxy]propan-2-yl ester IUPAC Name: 1-[2-[4-(4-undecylphenyl)phenyl]pyrimidin-5-yl]oxypropan-2-yl hexanoate Traditional Name: hexanoic acid [1-methyl-2-[2-[4-(4-undecylphenyl)phenyl]pyrimidin-5-yl]oxy-ethyl] ester Formula: C36H50N2O3 MolecularWeight: 558.7938

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC=C(C=N3)OCC(C)OC(=O)CCCCC

Isomeric SMILES

CCCCCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC=C(C=N3)OCC(C)OC(=O)CCCCC

InChI

InChI=1S/C36H50N2O3/c1-4-6-8-9-10-11-12-13-15-16-30-18-20-31(21-19-30)32-22-24-33(25-23-32)36-37-26-34(27-38-36)40-28-29(3)41-35(39)17-14-7-5-2/h18-27,29H,4-17,28H2,1-3H3