octyl 4-(4-oxidanyl-6-oxidanylidene-2-phenyl-1,3-diazinan-5-yl)butanoate

Systemtic Name: octyl 4-(4-oxidanyl-6-oxidanylidene-2-phenyl-1,3-diazinan-5-yl)butanoate Openeye Name: octyl 4-(4-hydroxy-6-oxo-2-phenyl-hexahydropyrimidin-5-yl)butanoate CAS Name: 4-(4-hydroxy-6-oxo-2-phenyl-1,3-diazinan-5-yl)butanoic acid octyl ester IUPAC Name: octyl 4-(4-hydroxy-6-oxo-2-phenyl-1,3-diazinan-5-yl)butanoate Traditional Name: 4-(4-hydroxy-6-keto-2-phenyl-hexahydropyrimidin-5-yl)butyric acid octyl ester Formula: C22H34N2O4 MolecularWeight: 390.51636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)CCCC1C(NC(NC1=O)C2=CC=CC=C2)O

Isomeric SMILES

CCCCCCCCOC(=O)CCCC1C(NC(NC1=O)C2=CC=CC=C2)O

InChI

InChI=1S/C22H34N2O4/c1-2-3-4-5-6-10-16-28-19(25)15-11-14-18-21(26)23-20(24-22(18)27)17-12-8-7-9-13-17/h7-9,12-13,18,20-21,23,26H,2-6,10-11,14-16H2,1H3,(H,24,27)