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

Systemtic Name: hexyl 3-[4-(5-hexylpyrimidin-2-yl)phenyl]butanoate Openeye Name: hexyl 3-[4-(5-hexylpyrimidin-2-yl)phenyl]butanoate CAS Name: 3-[4-(5-hexyl-2-pyrimidinyl)phenyl]butanoic acid hexyl ester IUPAC Name: hexyl 3-[4-(5-hexylpyrimidin-2-yl)phenyl]butanoate Traditional Name: 3-[4-(5-hexylpyrimidin-2-yl)phenyl]butyric acid hexyl ester Formula: C26H38N2O2 MolecularWeight: 410.59212

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(C)CC(=O)OCCCCCC

Isomeric SMILES

CCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(C)CC(=O)OCCCCCC

InChI

InChI=1S/C26H38N2O2/c1-4-6-8-10-12-22-19-27-26(28-20-22)24-15-13-23(14-16-24)21(3)18-25(29)30-17-11-9-7-5-2/h13-16,19-21H,4-12,17-18H2,1-3H3