[2-(4-octoxyphenyl)pyrimidin-5-yl] dodecanoate

Systemtic Name: [2-(4-octoxyphenyl)pyrimidin-5-yl] dodecanoate Openeye Name: [2-(4-octoxyphenyl)pyrimidin-5-yl] dodecanoate CAS Name: dodecanoic acid [2-(4-octoxyphenyl)-5-pyrimidinyl] ester IUPAC Name: [2-(4-octoxyphenyl)pyrimidin-5-yl] dodecanoate Traditional Name: lauric acid [2-(4-octoxyphenyl)pyrimidin-5-yl] ester Formula: C30H46N2O3 MolecularWeight: 482.69784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)OC1=CN=C(N=C1)C2=CC=C(C=C2)OCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCC(=O)OC1=CN=C(N=C1)C2=CC=C(C=C2)OCCCCCCCC

InChI

InChI=1S/C30H46N2O3/c1-3-5-7-9-11-12-13-14-16-18-29(33)35-28-24-31-30(32-25-28)26-19-21-27(22-20-26)34-23-17-15-10-8-6-4-2/h19-22,24-25H,3-18,23H2,1-2H3