O4-tert-butyl O1,O2-bis(phenylmethyl) piperazine-1,2,4-tricarboxylate

Systemtic Name: O4-tert-butyl O1,O2-bis(phenylmethyl) piperazine-1,2,4-tricarboxylate Openeye Name: O1,O2-dibenzyl O4-tert-butyl piperazine-1,2,4-tricarboxylate CAS Name: piperazine-1,2,4-tricarboxylic acid O4-tert-butyl ester O1,O2-bis(phenylmethyl) ester IUPAC Name: 1-O,2-O-dibenzyl 4-O-tert-butyl piperazine-1,2,4-tricarboxylate Traditional Name: piperazine-1,2,4-tricarboxylic acid O1,O2-dibenzyl ester O4-tert-butyl ester Formula: C25H30N2O6 MolecularWeight: 454.5155

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(C(C1)C(=O)OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(C(C1)C(=O)OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

InChI

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