tert-butyl 4-[2,4-bis(oxidanylidene)-4-(3-phenylmethoxyphenyl)butanoyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2,4-bis(oxidanylidene)-4-(3-phenylmethoxyphenyl)butanoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-(3-benzyloxyphenyl)-2,4-dioxo-butanoyl]piperazine-1-carboxylate CAS Name: 4-[1,2,4-trioxo-4-(3-phenylmethoxyphenyl)butyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2,4-dioxo-4-(3-phenylmethoxyphenyl)butanoyl]piperazine-1-carboxylate Traditional Name: 4-[4-(3-benzoxyphenyl)-2,4-diketo-butanoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C26H30N2O6 MolecularWeight: 466.5262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C(=O)CC(=O)C2=CC(=CC=C2)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C(=O)CC(=O)C2=CC(=CC=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C26H30N2O6/c1-26(2,3)34-25(32)28-14-12-27(13-15-28)24(31)23(30)17-22(29)20-10-7-11-21(16-20)33-18-19-8-5-4-6-9-19/h4-11,16H,12-15,17-18H2,1-3H3