O2-tert-butyl O1-(phenylmethyl) 4-(2,2-dimethylpropanoyloxy)pyrazolidine-1,2-dicarboxylate

Systemtic Name: O2-tert-butyl O1-(phenylmethyl) 4-(2,2-dimethylpropanoyloxy)pyrazolidine-1,2-dicarboxylate Openeye Name: O1-benzyl O2-tert-butyl 4-(2,2-dimethylpropanoyloxy)pyrazolidine-1,2-dicarboxylate CAS Name: 4-(2,2-dimethyl-1-oxopropoxy)pyrazolidine-1,2-dicarboxylic acid O2-tert-butyl ester O1-(phenylmethyl) ester IUPAC Name: 1-O-benzyl 2-O-tert-butyl 4-(2,2-dimethylpropanoyloxy)pyrazolidine-1,2-dicarboxylate Traditional Name: 4-pivaloyloxypyrazolidine-1,2-dicarboxylic acid O1-benzyl ester O2-tert-butyl ester Formula: C21H30N2O6 MolecularWeight: 406.4727

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OC1CN(N(C1)C(=O)OC(C)(C)C)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C(=O)OC1CN(N(C1)C(=O)OC(C)(C)C)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H30N2O6/c1-20(2,3)17(24)28-16-12-22(23(13-16)19(26)29-21(4,5)6)18(25)27-14-15-10-8-7-9-11-15/h7-11,16H,12-14H2,1-6H3