2-[4-(5-decoxypyrimidin-2-yl)phenyl]octanal

Systemtic Name: 2-[4-(5-decoxypyrimidin-2-yl)phenyl]octanal Openeye Name: 2-[4-(5-decoxypyrimidin-2-yl)phenyl]octanal CAS Name: 2-[4-(5-decoxy-2-pyrimidinyl)phenyl]octanal IUPAC Name: 2-[4-(5-decoxypyrimidin-2-yl)phenyl]octanal Traditional Name: 2-[4-(5-decoxypyrimidin-2-yl)phenyl]caprylaldehyde Formula: C28H42N2O2 MolecularWeight: 438.64528

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)C(CCCCCC)C=O

Isomeric SMILES

CCCCCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)C(CCCCCC)C=O

InChI

InChI=1S/C28H42N2O2/c1-3-5-7-9-10-11-12-14-20-32-27-21-29-28(30-22-27)25-18-16-24(17-19-25)26(23-31)15-13-8-6-4-2/h16-19,21-23,26H,3-15,20H2,1-2H3