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

Systemtic Name: methyl 2-[4-[5-(4-octylphenyl)pyrimidin-2-yl]phenoxy]propanoate Openeye Name: methyl 2-[4-[5-(4-octylphenyl)pyrimidin-2-yl]phenoxy]propanoate CAS Name: 2-[4-[5-(4-octylphenyl)-2-pyrimidinyl]phenoxy]propanoic acid methyl ester IUPAC Name: methyl 2-[4-[5-(4-octylphenyl)pyrimidin-2-yl]phenoxy]propanoate Traditional Name: 2-[4-[5-(4-octylphenyl)pyrimidin-2-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=CN=C(N=C2)C3=CC=C(C=C3)OC(C)C(=O)OC

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC=C(C=C3)OC(C)C(=O)OC

InChI

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