ethyl 2-(4-octoxyphenyl)pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-(4-octoxyphenyl)pyrimidine-5-carboxylate Openeye Name: ethyl 2-(4-octoxyphenyl)pyrimidine-5-carboxylate CAS Name: 2-(4-octoxyphenyl)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(4-octoxyphenyl)pyrimidine-5-carboxylate Traditional Name: 2-(4-octoxyphenyl)pyrimidine-5-carboxylic acid ethyl ester Formula: C21H28N2O3 MolecularWeight: 356.45862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)C(=O)OCC

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)C(=O)OCC

InChI

InChI=1S/C21H28N2O3/c1-3-5-6-7-8-9-14-26-19-12-10-17(11-13-19)20-22-15-18(16-23-20)21(24)25-4-2/h10-13,15-16H,3-9,14H2,1-2H3