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

Systemtic Name: hexyl 3-[4-(5-pentylpyrimidin-2-yl)phenyl]butanoate Openeye Name: hexyl 3-[4-(5-pentylpyrimidin-2-yl)phenyl]butanoate CAS Name: 3-[4-(5-pentyl-2-pyrimidinyl)phenyl]butanoic acid hexyl ester IUPAC Name: hexyl 3-[4-(5-pentylpyrimidin-2-yl)phenyl]butanoate Traditional Name: 3-[4-(5-amylpyrimidin-2-yl)phenyl]butyric acid hexyl ester Formula: C25H36N2O2 MolecularWeight: 396.56554

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)CC(C)C1=CC=C(C=C1)C2=NC=C(C=N2)CCCCC

Isomeric SMILES

CCCCCCOC(=O)CC(C)C1=CC=C(C=C1)C2=NC=C(C=N2)CCCCC

InChI

InChI=1S/C25H36N2O2/c1-4-6-8-10-16-29-24(28)17-20(3)22-12-14-23(15-13-22)25-26-18-21(19-27-25)11-9-7-5-2/h12-15,18-20H,4-11,16-17H2,1-3H3