1-[4-(5-octoxypyrimidin-2-yl)phenyl]propan-2-yl pentanoate

Systemtic Name: 1-[4-(5-octoxypyrimidin-2-yl)phenyl]propan-2-yl pentanoate Openeye Name: [1-methyl-2-[4-(5-octoxypyrimidin-2-yl)phenyl]ethyl] pentanoate CAS Name: pentanoic acid 1-[4-(5-octoxy-2-pyrimidinyl)phenyl]propan-2-yl ester IUPAC Name: 1-[4-(5-octoxypyrimidin-2-yl)phenyl]propan-2-yl pentanoate Traditional Name: valeric acid [1-methyl-2-[4-(5-octoxypyrimidin-2-yl)phenyl]ethyl] ester Formula: C26H38N2O3 MolecularWeight: 426.59152

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)CC(C)OC(=O)CCCC

Isomeric SMILES

CCCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)CC(C)OC(=O)CCCC

InChI

InChI=1S/C26H38N2O3/c1-4-6-8-9-10-11-17-30-24-19-27-26(28-20-24)23-15-13-22(14-16-23)18-21(3)31-25(29)12-7-5-2/h13-16,19-21H,4-12,17-18H2,1-3H3