[2-(4-heptoxyphenyl)pyrimidin-5-yl] 7-methylnonanoate

Systemtic Name: [2-(4-heptoxyphenyl)pyrimidin-5-yl] 7-methylnonanoate Openeye Name: [2-(4-heptoxyphenyl)pyrimidin-5-yl] 7-methylnonanoate CAS Name: 7-methylnonanoic acid [2-(4-heptoxyphenyl)-5-pyrimidinyl] ester IUPAC Name: [2-(4-heptoxyphenyl)pyrimidin-5-yl] 7-methylnonanoate Traditional Name: 7-methylpelargonic acid [2-(4-heptoxyphenyl)pyrimidin-5-yl] ester Formula: C27H40N2O3 MolecularWeight: 440.6181

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)CCCCCC(C)CC

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)CCCCCC(C)CC

InChI

InChI=1S/C27H40N2O3/c1-4-6-7-8-12-19-31-24-17-15-23(16-18-24)27-28-20-25(21-29-27)32-26(30)14-11-9-10-13-22(3)5-2/h15-18,20-22H,4-14,19H2,1-3H3