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

Systemtic Name: hexyl 3-[4-(5-propylpyrimidin-2-yl)phenyl]butanoate Openeye Name: hexyl 3-[4-(5-propylpyrimidin-2-yl)phenyl]butanoate CAS Name: 3-[4-(5-propyl-2-pyrimidinyl)phenyl]butanoic acid hexyl ester IUPAC Name: hexyl 3-[4-(5-propylpyrimidin-2-yl)phenyl]butanoate Traditional Name: 3-[4-(5-propylpyrimidin-2-yl)phenyl]butyric acid hexyl ester Formula: C23H32N2O2 MolecularWeight: 368.51238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H32N2O2/c1-4-6-7-8-14-27-22(26)15-18(3)20-10-12-21(13-11-20)23-24-16-19(9-5-2)17-25-23/h10-13,16-18H,4-9,14-15H2,1-3H3