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

Systemtic Name: hexyl 3-[4-(5-pentoxypyrimidin-2-yl)phenyl]butanoate Openeye Name: hexyl 3-[4-(5-pentoxypyrimidin-2-yl)phenyl]butanoate CAS Name: 3-[4-(5-pentoxy-2-pyrimidinyl)phenyl]butanoic acid hexyl ester IUPAC Name: hexyl 3-[4-(5-pentoxypyrimidin-2-yl)phenyl]butanoate Traditional Name: 3-[4-(5-amoxypyrimidin-2-yl)phenyl]butyric acid hexyl ester Formula: C25H36N2O3 MolecularWeight: 412.56494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H36N2O3/c1-4-6-8-10-16-30-24(28)17-20(3)21-11-13-22(14-12-21)25-26-18-23(19-27-25)29-15-9-7-5-2/h11-14,18-20H,4-10,15-17H2,1-3H3