methyl 2-[4-[2-(4-octylphenyl)pyrimidin-5-yl]phenoxy]propanoate

Systemtic Name: methyl 2-[4-[2-(4-octylphenyl)pyrimidin-5-yl]phenoxy]propanoate Openeye Name: methyl 2-[4-[2-(4-octylphenyl)pyrimidin-5-yl]phenoxy]propanoate CAS Name: 2-[4-[2-(4-octylphenyl)-5-pyrimidinyl]phenoxy]propanoic acid methyl ester IUPAC Name: methyl 2-[4-[2-(4-octylphenyl)pyrimidin-5-yl]phenoxy]propanoate Traditional Name: 2-[4-[2-(4-octylphenyl)pyrimidin-5-yl]phenoxy]propionic acid methyl ester Formula: C28H34N2O3 MolecularWeight: 446.58116

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OC(C)C(=O)OC

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OC(C)C(=O)OC

InChI

InChI=1S/C28H34N2O3/c1-4-5-6-7-8-9-10-22-11-13-24(14-12-22)27-29-19-25(20-30-27)23-15-17-26(18-16-23)33-21(2)28(31)32-3/h11-21H,4-10H2,1-3H3