octyl 2-(5-dodecoxypyrimidin-2-yl)benzoate

Systemtic Name: octyl 2-(5-dodecoxypyrimidin-2-yl)benzoate Openeye Name: octyl 2-(5-dodecoxypyrimidin-2-yl)benzoate CAS Name: 2-(5-dodecoxy-2-pyrimidinyl)benzoic acid octyl ester IUPAC Name: octyl 2-(5-dodecoxypyrimidin-2-yl)benzoate Traditional Name: 2-(5-lauryloxypyrimidin-2-yl)benzoic acid octyl ester Formula: C31H48N2O3 MolecularWeight: 496.72442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CN=C(N=C1)C2=CC=CC=C2C(=O)OCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCOC1=CN=C(N=C1)C2=CC=CC=C2C(=O)OCCCCCCCC

InChI

InChI=1S/C31H48N2O3/c1-3-5-7-9-11-12-13-14-16-19-23-35-27-25-32-30(33-26-27)28-21-17-18-22-29(28)31(34)36-24-20-15-10-8-6-4-2/h17-18,21-22,25-26H,3-16,19-20,23-24H2,1-2H3