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

Systemtic Name: hexyl 3-[4-(5-butoxypyrimidin-2-yl)phenyl]butanoate Openeye Name: hexyl 3-[4-(5-butoxypyrimidin-2-yl)phenyl]butanoate CAS Name: 3-[4-(5-butoxy-2-pyrimidinyl)phenyl]butanoic acid hexyl ester IUPAC Name: hexyl 3-[4-(5-butoxypyrimidin-2-yl)phenyl]butanoate Traditional Name: 3-[4-(5-butoxypyrimidin-2-yl)phenyl]butyric acid hexyl ester Formula: C24H34N2O3 MolecularWeight: 398.53836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H34N2O3/c1-4-6-8-9-15-29-23(27)16-19(3)20-10-12-21(13-11-20)24-25-17-22(18-26-24)28-14-7-5-2/h10-13,17-19H,4-9,14-16H2,1-3H3