3-[3-(tert-butylamino)-2-oxidanyl-propoxy]benzenecarbonitrile; ethanedioic acid

Systemtic Name: 3-[3-(tert-butylamino)-2-oxidanyl-propoxy]benzenecarbonitrile; ethanedioic acid Openeye Name: 3-[3-(tert-butylamino)-2-hydroxy-propoxy]benzonitrile; oxalic acid CAS Name: 3-[3-(tert-butylamino)-2-hydroxypropoxy]benzonitrile; oxalic acid IUPAC Name: 3-[3-(tert-butylamino)-2-hydroxypropoxy]benzonitrile; oxalic acid Traditional Name: 3-[3-(tert-butylamino)-2-hydroxy-propoxy]benzonitrile; oxalic acid Formula: C16H22N2O6 MolecularWeight: 338.35568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O2.C2H2O4/c1-14(2,3)16-9-12(17)10-18-13-6-4-5-11(7-13)8-15;3-1(4)2(5)6/h4-7,12,16-17H,9-10H2,1-3H3;(H,3,4)(H,5,6)