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

Systemtic Name: methyl (4S)-2-phenyl-6-piperidin-1-yl-4-(trifluoromethyl)-1,3,5-oxadiazine-4-carboxylate Openeye Name: methyl (4S)-2-phenyl-6-(1-piperidyl)-4-(trifluoromethyl)-1,3,5-oxadiazine-4-carboxylate CAS Name: (4S)-2-phenyl-6-(1-piperidinyl)-4-(trifluoromethyl)-1,3,5-oxadiazine-4-carboxylic acid methyl ester IUPAC Name: methyl (4S)-2-phenyl-6-piperidin-1-yl-4-(trifluoromethyl)-1,3,5-oxadiazine-4-carboxylate Traditional Name: (4S)-2-phenyl-6-piperidino-4-(trifluoromethyl)-1,3,5-oxadiazine-4-carboxylic acid methyl ester Formula: C17H18F3N3O3 MolecularWeight: 369.33833

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(N=C(OC(=N1)N2CCCCC2)C3=CC=CC=C3)C(F)(F)F

Isomeric SMILES

COC(=O)[C@@]1(N=C(OC(=N1)N2CCCCC2)C3=CC=CC=C3)C(F)(F)F

InChI

InChI=1S/C17H18F3N3O3/c1-25-14(24)16(17(18,19)20)21-13(12-8-4-2-5-9-12)26-15(22-16)23-10-6-3-7-11-23/h2,4-5,8-9H,3,6-7,10-11H2,1H3/t16-/m0/s1