2-[3-[(2-tert-butyl-4-chloranyl-phenoxy)methyl]azetidin-1-yl]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[3-[(2-tert-butyl-4-chloranyl-phenoxy)methyl]azetidin-1-yl]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[3-[(2-tert-butyl-4-chloro-phenoxy)methyl]azetidin-1-yl]-2-oxo-acetic acid CAS Name: 2-[3-[(2-tert-butyl-4-chlorophenoxy)methyl]-1-azetidinyl]-2-oxoacetic acid IUPAC Name: 2-[3-[(2-tert-butyl-4-chlorophenoxy)methyl]azetidin-1-yl]-2-oxoacetic acid Traditional Name: 2-[3-[(2-tert-butyl-4-chloro-phenoxy)methyl]azetidin-1-yl]-2-keto-acetic acid Formula: C16H20ClNO4 MolecularWeight: 325.7873

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=CC(=C1)Cl)OCC2CN(C2)C(=O)C(=O)O

Isomeric SMILES

CC(C)(C)C1=C(C=CC(=C1)Cl)OCC2CN(C2)C(=O)C(=O)O

InChI

InChI=1S/C16H20ClNO4/c1-16(2,3)12-6-11(17)4-5-13(12)22-9-10-7-18(8-10)14(19)15(20)21/h4-6,10H,7-9H2,1-3H3,(H,20,21)