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

Systemtic Name: octan-2-yl 3-[4-(5-butoxypyrimidin-2-yl)phenyl]butanoate Openeye Name: 1-methylheptyl 3-[4-(5-butoxypyrimidin-2-yl)phenyl]butanoate CAS Name: 3-[4-(5-butoxy-2-pyrimidinyl)phenyl]butanoic acid octan-2-yl ester IUPAC Name: octan-2-yl 3-[4-(5-butoxypyrimidin-2-yl)phenyl]butanoate Traditional Name: 3-[4-(5-butoxypyrimidin-2-yl)phenyl]butyric acid 1-methylheptyl ester Formula: C26H38N2O3 MolecularWeight: 426.59152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC(=O)CC(C)C1=CC=C(C=C1)C2=NC=C(C=N2)OCCCC

Isomeric SMILES

CCCCCCC(C)OC(=O)CC(C)C1=CC=C(C=C1)C2=NC=C(C=N2)OCCCC

InChI

InChI=1S/C26H38N2O3/c1-5-7-9-10-11-21(4)31-25(29)17-20(3)22-12-14-23(15-13-22)26-27-18-24(19-28-26)30-16-8-6-2/h12-15,18-21H,5-11,16-17H2,1-4H3