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

Systemtic Name: hexyl 2-(6-methyloctoxy)-4-phenyl-pyrimidine-5-carboxylate Openeye Name: hexyl 2-(6-methyloctoxy)-4-phenyl-pyrimidine-5-carboxylate CAS Name: 2-(6-methyloctoxy)-4-phenyl-5-pyrimidinecarboxylic acid hexyl ester IUPAC Name: hexyl 2-(6-methyloctoxy)-4-phenylpyrimidine-5-carboxylate Traditional Name: 2-(6-methyloctoxy)-4-phenyl-pyrimidine-5-carboxylic acid hexyl ester Formula: C26H38N2O3 MolecularWeight: 426.59152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H38N2O3/c1-4-6-7-13-18-30-25(29)23-20-27-26(28-24(23)22-16-11-8-12-17-22)31-19-14-9-10-15-21(3)5-2/h8,11-12,16-17,20-21H,4-7,9-10,13-15,18-19H2,1-3H3