O4-tert-butyl O1-(phenylmethyl) 2-cyanopiperazine-1,4-dicarboxylate

Systemtic Name: O4-tert-butyl O1-(phenylmethyl) 2-cyanopiperazine-1,4-dicarboxylate Openeye Name: O1-benzyl O4-tert-butyl 2-cyanopiperazine-1,4-dicarboxylate CAS Name: 2-cyanopiperazine-1,4-dicarboxylic acid O4-tert-butyl ester O1-(phenylmethyl) ester IUPAC Name: 1-O-benzyl 4-O-tert-butyl 2-cyanopiperazine-1,4-dicarboxylate Traditional Name: 2-cyanopiperazine-1,4-dicarboxylic acid O1-benzyl ester O4-tert-butyl ester Formula: C18H23N3O4 MolecularWeight: 345.39292

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(C(C1)C#N)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(C(C1)C#N)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C18H23N3O4/c1-18(2,3)25-16(22)20-9-10-21(15(11-19)12-20)17(23)24-13-14-7-5-4-6-8-14/h4-8,15H,9-10,12-13H2,1-3H3