[4-(5-nonylpyrimidin-2-yl)phenyl] 8-cyclopentyloctanoate

Systemtic Name: [4-(5-nonylpyrimidin-2-yl)phenyl] 8-cyclopentyloctanoate Openeye Name: [4-(5-nonylpyrimidin-2-yl)phenyl] 8-cyclopentyloctanoate CAS Name: 8-cyclopentyloctanoic acid [4-(5-nonyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-nonylpyrimidin-2-yl)phenyl] 8-cyclopentyloctanoate Traditional Name: 8-cyclopentylcaprylic acid [4-(5-nonylpyrimidin-2-yl)phenyl] ester Formula: C32H48N2O2 MolecularWeight: 492.73572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)CCCCCCCC3CCCC3

Isomeric SMILES

CCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)CCCCCCCC3CCCC3

InChI

InChI=1S/C32H48N2O2/c1-2-3-4-5-6-8-12-19-28-25-33-32(34-26-28)29-21-23-30(24-22-29)36-31(35)20-13-10-7-9-11-16-27-17-14-15-18-27/h21-27H,2-20H2,1H3