O1,O2-ditert-butyl O3-methyl (3S,5S)-5-phenylmethoxy-1,2-diazinane-1,2,3-tricarboxylate

Systemtic Name: O1,O2-ditert-butyl O3-methyl (3S,5S)-5-phenylmethoxy-1,2-diazinane-1,2,3-tricarboxylate Openeye Name: O1,O2-ditert-butyl O3-methyl (3S,5S)-5-benzyloxyhexahydropyridazine-1,2,3-tricarboxylate CAS Name: (3S,5S)-5-phenylmethoxydiazinane-1,2,3-tricarboxylic acid O1,O2-ditert-butyl ester O3-methyl ester IUPAC Name: 1-O,2-O-ditert-butyl 3-O-methyl (3S,5S)-5-phenylmethoxydiazinane-1,2,3-tricarboxylate Traditional Name: (3S,5S)-5-benzoxyhexahydropyridazine-1,2,3-tricarboxylic acid O1,O2-ditert-butyl ester O3-methyl ester Formula: C23H34N2O7 MolecularWeight: 450.52526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(CC(N1C(=O)OC(C)(C)C)C(=O)OC)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N1C[C@H](C[C@H](N1C(=O)OC(C)(C)C)C(=O)OC)OCC2=CC=CC=C2

InChI

InChI=1S/C23H34N2O7/c1-22(2,3)31-20(27)24-14-17(30-15-16-11-9-8-10-12-16)13-18(19(26)29-7)25(24)21(28)32-23(4,5)6/h8-12,17-18H,13-15H2,1-7H3/t17-,18-/m0/s1