hexyl 3-[4-(5-hexoxypyrimidin-2-yl)phenyl]butanoate

Systemtic Name: hexyl 3-[4-(5-hexoxypyrimidin-2-yl)phenyl]butanoate Openeye Name: hexyl 3-[4-(5-hexoxypyrimidin-2-yl)phenyl]butanoate CAS Name: 3-[4-(5-hexoxy-2-pyrimidinyl)phenyl]butanoic acid hexyl ester IUPAC Name: hexyl 3-[4-(5-hexoxypyrimidin-2-yl)phenyl]butanoate Traditional Name: 3-[4-(5-hexoxypyrimidin-2-yl)phenyl]butyric acid hexyl ester Formula: C26H38N2O3 MolecularWeight: 426.59152

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)C(C)CC(=O)OCCCCCC

Isomeric SMILES

CCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)C(C)CC(=O)OCCCCCC

InChI

InChI=1S/C26H38N2O3/c1-4-6-8-10-16-30-24-19-27-26(28-20-24)23-14-12-22(13-15-23)21(3)18-25(29)31-17-11-9-7-5-2/h12-15,19-21H,4-11,16-18H2,1-3H3