4-[2-(4-octylphenyl)pyrimidin-5-yl]oxybutan-2-yl pentanoate

Systemtic Name: 4-[2-(4-octylphenyl)pyrimidin-5-yl]oxybutan-2-yl pentanoate Openeye Name: [1-methyl-3-[2-(4-octylphenyl)pyrimidin-5-yl]oxy-propyl] pentanoate CAS Name: pentanoic acid 4-[[2-(4-octylphenyl)-5-pyrimidinyl]oxy]butan-2-yl ester IUPAC Name: 4-[2-(4-octylphenyl)pyrimidin-5-yl]oxybutan-2-yl pentanoate Traditional Name: valeric acid [1-methyl-3-[2-(4-octylphenyl)pyrimidin-5-yl]oxy-propyl] ester Formula: C27H40N2O3 MolecularWeight: 440.6181

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OCCC(C)OC(=O)CCCC

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OCCC(C)OC(=O)CCCC

InChI

InChI=1S/C27H40N2O3/c1-4-6-8-9-10-11-12-23-14-16-24(17-15-23)27-28-20-25(21-29-27)31-19-18-22(3)32-26(30)13-7-5-2/h14-17,20-22H,4-13,18-19H2,1-3H3