[4-(5-octylpyrimidin-2-yl)phenyl] 3-ethoxypropanoate

Systemtic Name: [4-(5-octylpyrimidin-2-yl)phenyl] 3-ethoxypropanoate Openeye Name: [4-(5-octylpyrimidin-2-yl)phenyl] 3-ethoxypropanoate CAS Name: 3-ethoxypropanoic acid [4-(5-octyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-octylpyrimidin-2-yl)phenyl] 3-ethoxypropanoate Traditional Name: 3-ethoxypropionic acid [4-(5-octylpyrimidin-2-yl)phenyl] ester Formula: C23H32N2O3 MolecularWeight: 384.51178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H32N2O3/c1-3-5-6-7-8-9-10-19-17-24-23(25-18-19)20-11-13-21(14-12-20)28-22(26)15-16-27-4-2/h11-14,17-18H,3-10,15-16H2,1-2H3