[4-(5-hexylpyrimidin-2-yl)phenyl] 2-ethylpentanoate

Systemtic Name: [4-(5-hexylpyrimidin-2-yl)phenyl] 2-ethylpentanoate Openeye Name: [4-(5-hexylpyrimidin-2-yl)phenyl] 2-ethylpentanoate CAS Name: 2-ethylpentanoic acid [4-(5-hexyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-hexylpyrimidin-2-yl)phenyl] 2-ethylpentanoate Traditional Name: 2-ethylvaleric acid [4-(5-hexylpyrimidin-2-yl)phenyl] ester Formula: C23H32N2O2 MolecularWeight: 368.51238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C(CC)CCC

Isomeric SMILES

CCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C(CC)CCC

InChI

InChI=1S/C23H32N2O2/c1-4-7-8-9-11-18-16-24-22(25-17-18)20-12-14-21(15-13-20)27-23(26)19(6-3)10-5-2/h12-17,19H,4-11H2,1-3H3