[2-(4-hexoxyphenyl)pyrimidin-5-yl] 4-methylhexanoate

Systemtic Name: [2-(4-hexoxyphenyl)pyrimidin-5-yl] 4-methylhexanoate Openeye Name: [2-(4-hexoxyphenyl)pyrimidin-5-yl] 4-methylhexanoate CAS Name: 4-methylhexanoic acid [2-(4-hexoxyphenyl)-5-pyrimidinyl] ester IUPAC Name: [2-(4-hexoxyphenyl)pyrimidin-5-yl] 4-methylhexanoate Traditional Name: 4-methylhexanoic acid [2-(4-hexoxyphenyl)pyrimidin-5-yl] ester Formula: C23H32N2O3 MolecularWeight: 384.51178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)CCC(C)CC

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)CCC(C)CC

InChI

InChI=1S/C23H32N2O3/c1-4-6-7-8-15-27-20-12-10-19(11-13-20)23-24-16-21(17-25-23)28-22(26)14-9-18(3)5-2/h10-13,16-18H,4-9,14-15H2,1-3H3