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

Systemtic Name: hexyl 3-[4-(5-octylpyrimidin-2-yl)phenyl]butanoate Openeye Name: hexyl 3-[4-(5-octylpyrimidin-2-yl)phenyl]butanoate CAS Name: 3-[4-(5-octyl-2-pyrimidinyl)phenyl]butanoic acid hexyl ester IUPAC Name: hexyl 3-[4-(5-octylpyrimidin-2-yl)phenyl]butanoate Traditional Name: 3-[4-(5-octylpyrimidin-2-yl)phenyl]butyric acid hexyl ester Formula: C28H42N2O2 MolecularWeight: 438.64528

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(C)CC(=O)OCCCCCC

Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(C)CC(=O)OCCCCCC

InChI

InChI=1S/C28H42N2O2/c1-4-6-8-10-11-12-14-24-21-29-28(30-22-24)26-17-15-25(16-18-26)23(3)20-27(31)32-19-13-9-7-5-2/h15-18,21-23H,4-14,19-20H2,1-3H3