dimethyl (4S,5R)-4-oxidanyl-5-(3-phenylpropylamino)-1,2-diazinane-1,2-dicarboxylate

Systemtic Name: dimethyl (4S,5R)-4-oxidanyl-5-(3-phenylpropylamino)-1,2-diazinane-1,2-dicarboxylate Openeye Name: dimethyl (4S,5R)-4-hydroxy-5-(3-phenylpropylamino)hexahydropyridazine-1,2-dicarboxylate CAS Name: (4S,5R)-4-hydroxy-5-(3-phenylpropylamino)diazinane-1,2-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (4S,5R)-4-hydroxy-5-(3-phenylpropylamino)diazinane-1,2-dicarboxylate Traditional Name: (4S,5R)-4-hydroxy-5-(3-phenylpropylamino)hexahydropyridazine-1,2-dicarboxylic acid dimethyl ester Formula: C17H25N3O5 MolecularWeight: 351.3975

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CC(C(CN1C(=O)OC)O)NCCCC2=CC=CC=C2

Isomeric SMILES

COC(=O)N1C[C@H]([C@H](CN1C(=O)OC)O)NCCCC2=CC=CC=C2

InChI

InChI=1S/C17H25N3O5/c1-24-16(22)19-11-14(15(21)12-20(19)17(23)25-2)18-10-6-9-13-7-4-3-5-8-13/h3-5,7-8,14-15,18,21H,6,9-12H2,1-2H3/t14-,15+/m1/s1