2-[3-tert-butyl-4-[[3-(4-cyanophenyl)-2-oxidanylidene-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]ethanoic acid

Systemtic Name: 2-[3-tert-butyl-4-[[3-(4-cyanophenyl)-2-oxidanylidene-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]ethanoic acid Openeye Name: 2-[3-tert-butyl-4-[[3-(4-cyanophenyl)-2-oxo-oxazolidin-5-yl]methyl]piperazin-1-yl]acetic acid CAS Name: 2-[3-tert-butyl-4-[[3-(4-cyanophenyl)-2-oxo-5-oxazolidinyl]methyl]-1-piperazinyl]acetic acid IUPAC Name: 2-[3-tert-butyl-4-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetic acid Traditional Name: 2-[3-tert-butyl-4-[[3-(4-cyanophenyl)-2-keto-oxazolidin-5-yl]methyl]piperazino]acetic acid Formula: C21H28N4O4 MolecularWeight: 400.47142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CN(CCN1CC2CN(C(=O)O2)C3=CC=C(C=C3)C#N)CC(=O)O

Isomeric SMILES

CC(C)(C)C1CN(CCN1CC2CN(C(=O)O2)C3=CC=C(C=C3)C#N)CC(=O)O

InChI

InChI=1S/C21H28N4O4/c1-21(2,3)18-13-23(14-19(26)27)8-9-24(18)11-17-12-25(20(28)29-17)16-6-4-15(10-22)5-7-16/h4-7,17-18H,8-9,11-14H2,1-3H3,(H,26,27)