11-[5-(4-octoxyphenyl)pyrazin-2-yl]oxyundecan-2-yl propanoate

Systemtic Name: 11-[5-(4-octoxyphenyl)pyrazin-2-yl]oxyundecan-2-yl propanoate Openeye Name: [1-methyl-10-[5-(4-octoxyphenyl)pyrazin-2-yl]oxy-decyl] propanoate CAS Name: propanoic acid 11-[[5-(4-octoxyphenyl)-2-pyrazinyl]oxy]undecan-2-yl ester IUPAC Name: 11-[5-(4-octoxyphenyl)pyrazin-2-yl]oxyundecan-2-yl propanoate Traditional Name: propionic acid [1-methyl-10-[5-(4-octoxyphenyl)pyrazin-2-yl]oxy-decyl] ester Formula: C32H50N2O4 MolecularWeight: 526.7504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=CN=C(C=N2)OCCCCCCCCCC(C)OC(=O)CC

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=CN=C(C=N2)OCCCCCCCCCC(C)OC(=O)CC

InChI

InChI=1S/C32H50N2O4/c1-4-6-7-8-13-16-23-36-29-21-19-28(20-22-29)30-25-34-31(26-33-30)37-24-17-14-11-9-10-12-15-18-27(3)38-32(35)5-2/h19-22,25-27H,4-18,23-24H2,1-3H3