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

Systemtic Name: ethyl 2-[4-[5-(4-octylphenyl)pyrimidin-2-yl]phenoxy]propanoate Openeye Name: ethyl 2-[4-[5-(4-octylphenyl)pyrimidin-2-yl]phenoxy]propanoate CAS Name: 2-[4-[5-(4-octylphenyl)-2-pyrimidinyl]phenoxy]propanoic acid ethyl ester IUPAC Name: ethyl 2-[4-[5-(4-octylphenyl)pyrimidin-2-yl]phenoxy]propanoate Traditional Name: 2-[4-[5-(4-octylphenyl)pyrimidin-2-yl]phenoxy]propionic acid ethyl ester Formula: C29H36N2O3 MolecularWeight: 460.60774

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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)OCC

Isomeric SMILES

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

InChI

InChI=1S/C29H36N2O3/c1-4-6-7-8-9-10-11-23-12-14-24(15-13-23)26-20-30-28(31-21-26)25-16-18-27(19-17-25)34-22(3)29(32)33-5-2/h12-22H,4-11H2,1-3H3