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

Systemtic Name: 1-[4-[2-(4-propylphenyl)pyrimidin-4-yl]phenoxy]propan-2-yl hexanoate Openeye Name: [1-methyl-2-[4-[2-(4-propylphenyl)pyrimidin-4-yl]phenoxy]ethyl] hexanoate CAS Name: hexanoic acid 1-[4-[2-(4-propylphenyl)-4-pyrimidinyl]phenoxy]propan-2-yl ester IUPAC Name: 1-[4-[2-(4-propylphenyl)pyrimidin-4-yl]phenoxy]propan-2-yl hexanoate Traditional Name: hexanoic acid [1-methyl-2-[4-[2-(4-propylphenyl)pyrimidin-4-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(=NC=C2)C3=CC=C(C=C3)CCC

Isomeric SMILES

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

InChI

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