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

Systemtic Name: 2-[2-tert-butyl-1-[[3-(4-cyanophenyl)-2-oxidanylidene-1,3-oxazolidin-5-yl]methyl]azetidin-3-yl]oxyethanoic acid Openeye Name: 2-[2-tert-butyl-1-[[3-(4-cyanophenyl)-2-oxo-oxazolidin-5-yl]methyl]azetidin-3-yl]oxyacetic acid CAS Name: 2-[[2-tert-butyl-1-[[3-(4-cyanophenyl)-2-oxo-5-oxazolidinyl]methyl]-3-azetidinyl]oxy]acetic acid IUPAC Name: 2-[2-tert-butyl-1-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]azetidin-3-yl]oxyacetic acid Traditional Name: 2-[2-tert-butyl-1-[[3-(4-cyanophenyl)-2-keto-oxazolidin-5-yl]methyl]azetidin-3-yl]oxyacetic acid Formula: C20H25N3O5 MolecularWeight: 387.4296

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1C(CN1CC2CN(C(=O)O2)C3=CC=C(C=C3)C#N)OCC(=O)O

Isomeric SMILES

CC(C)(C)C1C(CN1CC2CN(C(=O)O2)C3=CC=C(C=C3)C#N)OCC(=O)O

InChI

InChI=1S/C20H25N3O5/c1-20(2,3)18-16(27-12-17(24)25)11-22(18)9-15-10-23(19(26)28-15)14-6-4-13(8-21)5-7-14/h4-7,15-16,18H,9-12H2,1-3H3,(H,24,25)