[2-(4-dodecoxyphenyl)pyrimidin-5-yl] heptanoate

Systemtic Name: [2-(4-dodecoxyphenyl)pyrimidin-5-yl] heptanoate Openeye Name: [2-(4-dodecoxyphenyl)pyrimidin-5-yl] heptanoate CAS Name: heptanoic acid [2-(4-dodecoxyphenyl)-5-pyrimidinyl] ester IUPAC Name: [2-(4-dodecoxyphenyl)pyrimidin-5-yl] heptanoate Traditional Name: enanthic acid [2-(4-lauryloxyphenyl)pyrimidin-5-yl] ester Formula: C29H44N2O3 MolecularWeight: 468.67126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)CCCCCC

Isomeric SMILES

CCCCCCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)CCCCCC

InChI

InChI=1S/C29H44N2O3/c1-3-5-7-9-10-11-12-13-14-16-22-33-26-20-18-25(19-21-26)29-30-23-27(24-31-29)34-28(32)17-15-8-6-4-2/h18-21,23-24H,3-17,22H2,1-2H3