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

Systemtic Name: hexyl 3-[4-(5-heptylpyrimidin-2-yl)phenyl]butanoate Openeye Name: hexyl 3-[4-(5-heptylpyrimidin-2-yl)phenyl]butanoate CAS Name: 3-[4-(5-heptyl-2-pyrimidinyl)phenyl]butanoic acid hexyl ester IUPAC Name: hexyl 3-[4-(5-heptylpyrimidin-2-yl)phenyl]butanoate Traditional Name: 3-[4-(5-heptylpyrimidin-2-yl)phenyl]butyric acid hexyl ester Formula: C27H40N2O2 MolecularWeight: 424.6187

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(C)CC(=O)OCCCCCC

Isomeric SMILES

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(C)CC(=O)OCCCCCC

InChI

InChI=1S/C27H40N2O2/c1-4-6-8-10-11-13-23-20-28-27(29-21-23)25-16-14-24(15-17-25)22(3)19-26(30)31-18-12-9-7-5-2/h14-17,20-22H,4-13,18-19H2,1-3H3