2-[1-(tert-butylamino)-3-(3-cyanophenoxy)-2-oxidanyl-propan-2-yl]oxy-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[1-(tert-butylamino)-3-(3-cyanophenoxy)-2-oxidanyl-propan-2-yl]oxy-2-oxidanylidene-ethanoic acid Openeye Name: 2-[1-[(tert-butylamino)methyl]-2-(3-cyanophenoxy)-1-hydroxy-ethoxy]-2-oxo-acetic acid CAS Name: 2-[1-(tert-butylamino)-3-(3-cyanophenoxy)-2-hydroxypropan-2-yl]oxy-2-oxoacetic acid IUPAC Name: 2-[1-(tert-butylamino)-3-(3-cyanophenoxy)-2-hydroxypropan-2-yl]oxy-2-oxoacetic acid Traditional Name: 2-[1-[(tert-butylamino)methyl]-2-(3-cyanophenoxy)-1-hydroxy-ethoxy]-2-keto-acetic acid Formula: C16H20N2O6 MolecularWeight: 336.3398

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCC(COC1=CC=CC(=C1)C#N)(O)OC(=O)C(=O)O

Isomeric SMILES

CC(C)(C)NCC(COC1=CC=CC(=C1)C#N)(O)OC(=O)C(=O)O

InChI

InChI=1S/C16H20N2O6/c1-15(2,3)18-9-16(22,24-14(21)13(19)20)10-23-12-6-4-5-11(7-12)8-17/h4-7,18,22H,9-10H2,1-3H3,(H,19,20)