ethanedioic acid; 3-[[3-(4-ethanoylphenoxy)-2-oxidanyl-propyl]-methyl-amino]propanenitrile

Systemtic Name: ethanedioic acid; 3-[[3-(4-ethanoylphenoxy)-2-oxidanyl-propyl]-methyl-amino]propanenitrile Openeye Name: 3-[[3-(4-acetylphenoxy)-2-hydroxy-propyl]-methyl-amino]propanenitrile; oxalic acid CAS Name: 3-[[3-(4-acetylphenoxy)-2-hydroxypropyl]-methylamino]propanenitrile; oxalic acid IUPAC Name: 3-[[3-(4-acetylphenoxy)-2-hydroxypropyl]-methylamino]propanenitrile; oxalic acid Traditional Name: 3-[[3-(4-acetylphenoxy)-2-hydroxy-propyl]-methyl-amino]propionitrile; oxalic acid Formula: C17H22N2O7 MolecularWeight: 366.36578

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)OCC(CN(C)CCC#N)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)OCC(CN(C)CCC#N)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H20N2O3.C2H2O4/c1-12(18)13-4-6-15(7-5-13)20-11-14(19)10-17(2)9-3-8-16;3-1(4)2(5)6/h4-7,14,19H,3,9-11H2,1-2H3;(H,3,4)(H,5,6)