O3-tert-butyl O1,O2-bis(phenylmethyl) (3S)-1,2-diazinane-1,2,3-tricarboxylate

Systemtic Name: O3-tert-butyl O1,O2-bis(phenylmethyl) (3S)-1,2-diazinane-1,2,3-tricarboxylate Openeye Name: O1,O2-dibenzyl O3-tert-butyl (3S)-hexahydropyridazine-1,2,3-tricarboxylate CAS Name: (3S)-diazinane-1,2,3-tricarboxylic acid O3-tert-butyl ester O1,O2-bis(phenylmethyl) ester IUPAC Name: 1-O,2-O-dibenzyl 3-O-tert-butyl (3S)-diazinane-1,2,3-tricarboxylate Traditional Name: (3S)-hexahydropyridazine-1,2,3-tricarboxylic acid O1,O2-dibenzyl ester O3-tert-butyl ester Formula: C25H30N2O6 MolecularWeight: 454.5155

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CCCN(N1C(=O)OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)[C@@H]1CCCN(N1C(=O)OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C25H30N2O6/c1-25(2,3)33-22(28)21-15-10-16-26(23(29)31-17-19-11-6-4-7-12-19)27(21)24(30)32-18-20-13-8-5-9-14-20/h4-9,11-14,21H,10,15-18H2,1-3H3/t21-/m0/s1