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

Systemtic Name: hexyl 3-[4-(5-butylpyrimidin-2-yl)phenyl]butanoate Openeye Name: hexyl 3-[4-(5-butylpyrimidin-2-yl)phenyl]butanoate CAS Name: 3-[4-(5-butyl-2-pyrimidinyl)phenyl]butanoic acid hexyl ester IUPAC Name: hexyl 3-[4-(5-butylpyrimidin-2-yl)phenyl]butanoate Traditional Name: 3-[4-(5-butylpyrimidin-2-yl)phenyl]butyric acid hexyl ester Formula: C24H34N2O2 MolecularWeight: 382.53896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H34N2O2/c1-4-6-8-9-15-28-23(27)16-19(3)21-11-13-22(14-12-21)24-25-17-20(18-26-24)10-7-5-2/h11-14,17-19H,4-10,15-16H2,1-3H3