ethyl (4S)-2-morpholin-4-yl-6-phenyl-4-(trifluoromethyl)-1,3,5-oxadiazine-4-carboxylate

Systemtic Name: ethyl (4S)-2-morpholin-4-yl-6-phenyl-4-(trifluoromethyl)-1,3,5-oxadiazine-4-carboxylate Openeye Name: ethyl (4S)-2-morpholino-6-phenyl-4-(trifluoromethyl)-1,3,5-oxadiazine-4-carboxylate CAS Name: (4S)-2-(4-morpholinyl)-6-phenyl-4-(trifluoromethyl)-1,3,5-oxadiazine-4-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-2-morpholin-4-yl-6-phenyl-4-(trifluoromethyl)-1,3,5-oxadiazine-4-carboxylate Traditional Name: (4S)-2-morpholino-6-phenyl-4-(trifluoromethyl)-1,3,5-oxadiazine-4-carboxylic acid ethyl ester Formula: C17H18F3N3O4 MolecularWeight: 385.33773

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(N=C(OC(=N1)N2CCOCC2)C3=CC=CC=C3)C(F)(F)F

Isomeric SMILES

CCOC(=O)[C@@]1(N=C(OC(=N1)N2CCOCC2)C3=CC=CC=C3)C(F)(F)F

InChI

InChI=1S/C17H18F3N3O4/c1-2-26-14(24)16(17(18,19)20)21-13(12-6-4-3-5-7-12)27-15(22-16)23-8-10-25-11-9-23/h3-7H,2,8-11H2,1H3/t16-/m0/s1