butyl 2-(6-methyloctoxy)-4-phenyl-pyrimidine-5-carboxylate

Systemtic Name: butyl 2-(6-methyloctoxy)-4-phenyl-pyrimidine-5-carboxylate Openeye Name: butyl 2-(6-methyloctoxy)-4-phenyl-pyrimidine-5-carboxylate CAS Name: 2-(6-methyloctoxy)-4-phenyl-5-pyrimidinecarboxylic acid butyl ester IUPAC Name: butyl 2-(6-methyloctoxy)-4-phenylpyrimidine-5-carboxylate Traditional Name: 2-(6-methyloctoxy)-4-phenyl-pyrimidine-5-carboxylic acid butyl ester Formula: C24H34N2O3 MolecularWeight: 398.53836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CN=C(N=C1C2=CC=CC=C2)OCCCCCC(C)CC

Isomeric SMILES

CCCCOC(=O)C1=CN=C(N=C1C2=CC=CC=C2)OCCCCCC(C)CC

InChI

InChI=1S/C24H34N2O3/c1-4-6-16-28-23(27)21-18-25-24(26-22(21)20-14-10-7-11-15-20)29-17-12-8-9-13-19(3)5-2/h7,10-11,14-15,18-19H,4-6,8-9,12-13,16-17H2,1-3H3