ethyl 2-[2-[4-(4-heptylphenyl)phenyl]pyrimidin-5-yl]oxypropanoate

Systemtic Name: ethyl 2-[2-[4-(4-heptylphenyl)phenyl]pyrimidin-5-yl]oxypropanoate Openeye Name: ethyl 2-[2-[4-(4-heptylphenyl)phenyl]pyrimidin-5-yl]oxypropanoate CAS Name: 2-[[2-[4-(4-heptylphenyl)phenyl]-5-pyrimidinyl]oxy]propanoic acid ethyl ester IUPAC Name: ethyl 2-[2-[4-(4-heptylphenyl)phenyl]pyrimidin-5-yl]oxypropanoate Traditional Name: 2-[2-[4-(4-heptylphenyl)phenyl]pyrimidin-5-yl]oxypropionic acid ethyl ester Formula: C28H34N2O3 MolecularWeight: 446.58116

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC=C(C=N3)OC(C)C(=O)OCC

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC=C(C=N3)OC(C)C(=O)OCC

InChI

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