[5-[4-(2-methylbutoxy)phenyl]pyrazin-2-yl] octanoate

Systemtic Name: [5-[4-(2-methylbutoxy)phenyl]pyrazin-2-yl] octanoate Openeye Name: [5-[4-(2-methylbutoxy)phenyl]pyrazin-2-yl] octanoate CAS Name: octanoic acid [5-[4-(2-methylbutoxy)phenyl]-2-pyrazinyl] ester IUPAC Name: [5-[4-(2-methylbutoxy)phenyl]pyrazin-2-yl] octanoate Traditional Name: caprylic acid [5-[4-(2-methylbutoxy)phenyl]pyrazin-2-yl] ester Formula: C23H32N2O3 MolecularWeight: 384.51178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC1=NC=C(N=C1)C2=CC=C(C=C2)OCC(C)CC

Isomeric SMILES

CCCCCCCC(=O)OC1=NC=C(N=C1)C2=CC=C(C=C2)OCC(C)CC

InChI

InChI=1S/C23H32N2O3/c1-4-6-7-8-9-10-23(26)28-22-16-24-21(15-25-22)19-11-13-20(14-12-19)27-17-18(3)5-2/h11-16,18H,4-10,17H2,1-3H3