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

Systemtic Name: 1-[2-[4-(4-propylphenyl)phenyl]pyrimidin-5-yl]oxypropan-2-yl hexanoate Openeye Name: [1-methyl-2-[2-[4-(4-propylphenyl)phenyl]pyrimidin-5-yl]oxy-ethyl] hexanoate CAS Name: hexanoic acid 1-[[2-[4-(4-propylphenyl)phenyl]-5-pyrimidinyl]oxy]propan-2-yl ester IUPAC Name: 1-[2-[4-(4-propylphenyl)phenyl]pyrimidin-5-yl]oxypropan-2-yl hexanoate Traditional Name: hexanoic acid [1-methyl-2-[2-[4-(4-propylphenyl)phenyl]pyrimidin-5-yl]oxy-ethyl] ester Formula: C28H34N2O3 MolecularWeight: 446.58116

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OC(C)COC1=CN=C(N=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)CCC

Isomeric SMILES

CCCCCC(=O)OC(C)COC1=CN=C(N=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)CCC

InChI

InChI=1S/C28H34N2O3/c1-4-6-7-9-27(31)33-21(3)20-32-26-18-29-28(30-19-26)25-16-14-24(15-17-25)23-12-10-22(8-5-2)11-13-23/h10-19,21H,4-9,20H2,1-3H3