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

Systemtic Name: hexyl 3-[4-(5-heptoxypyrimidin-2-yl)phenyl]butanoate Openeye Name: hexyl 3-[4-(5-heptoxypyrimidin-2-yl)phenyl]butanoate CAS Name: 3-[4-(5-heptoxy-2-pyrimidinyl)phenyl]butanoic acid hexyl ester IUPAC Name: hexyl 3-[4-(5-heptoxypyrimidin-2-yl)phenyl]butanoate Traditional Name: 3-[4-(5-heptoxypyrimidin-2-yl)phenyl]butyric acid hexyl ester Formula: C27H40N2O3 MolecularWeight: 440.6181

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)C(C)CC(=O)OCCCCCC

Isomeric SMILES

CCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)C(C)CC(=O)OCCCCCC

InChI

InChI=1S/C27H40N2O3/c1-4-6-8-10-12-17-31-25-20-28-27(29-21-25)24-15-13-23(14-16-24)22(3)19-26(30)32-18-11-9-7-5-2/h13-16,20-22H,4-12,17-19H2,1-3H3