O2-tert-butyl O1-ethyl 4-[[3-(4-cyanophenyl)-2-oxidanylidene-1,3-oxazolidin-5-yl]methyl]piperazine-1,2-dicarboxylate

Systemtic Name: O2-tert-butyl O1-ethyl 4-[[3-(4-cyanophenyl)-2-oxidanylidene-1,3-oxazolidin-5-yl]methyl]piperazine-1,2-dicarboxylate Openeye Name: O2-tert-butyl O1-ethyl 4-[[3-(4-cyanophenyl)-2-oxo-oxazolidin-5-yl]methyl]piperazine-1,2-dicarboxylate CAS Name: 4-[[3-(4-cyanophenyl)-2-oxo-5-oxazolidinyl]methyl]piperazine-1,2-dicarboxylic acid O2-tert-butyl ester O1-ethyl ester IUPAC Name: 2-O-tert-butyl 1-O-ethyl 4-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazine-1,2-dicarboxylate Traditional Name: 4-[[3-(4-cyanophenyl)-2-keto-oxazolidin-5-yl]methyl]piperazine-1,2-dicarboxylic acid O2-tert-butyl ester O1-ethyl ester Formula: C23H30N4O6 MolecularWeight: 458.5075

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1C(=O)OC(C)(C)C)CC2CN(C(=O)O2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCOC(=O)N1CCN(CC1C(=O)OC(C)(C)C)CC2CN(C(=O)O2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C23H30N4O6/c1-5-31-21(29)26-11-10-25(15-19(26)20(28)33-23(2,3)4)13-18-14-27(22(30)32-18)17-8-6-16(12-24)7-9-17/h6-9,18-19H,5,10-11,13-15H2,1-4H3