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

Systemtic Name: hexyl 3-[4-(5-octoxypyrimidin-2-yl)phenyl]butanoate Openeye Name: hexyl 3-[4-(5-octoxypyrimidin-2-yl)phenyl]butanoate CAS Name: 3-[4-(5-octoxy-2-pyrimidinyl)phenyl]butanoic acid hexyl ester IUPAC Name: hexyl 3-[4-(5-octoxypyrimidin-2-yl)phenyl]butanoate Traditional Name: 3-[4-(5-octoxypyrimidin-2-yl)phenyl]butyric acid hexyl ester Formula: C28H42N2O3 MolecularWeight: 454.64468

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)C(C)CC(=O)OCCCCCC

Isomeric SMILES

CCCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)C(C)CC(=O)OCCCCCC

InChI

InChI=1S/C28H42N2O3/c1-4-6-8-10-11-13-18-32-26-21-29-28(30-22-26)25-16-14-24(15-17-25)23(3)20-27(31)33-19-12-9-7-5-2/h14-17,21-23H,4-13,18-20H2,1-3H3