1-[4-[5-(4-propylphenyl)pyrimidin-2-yl]phenoxy]propan-2-yl hexanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OC(C)COC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)CCC

Isomeric SMILES

CCCCCC(=O)OC(C)COC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)CCC

InChI

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