ethanedioic acid; 3-[[3-(4-ethanoyl-2-methoxy-phenoxy)-2-oxidanyl-propyl]-(2-methylpropyl)amino]propanenitrile

Systemtic Name: ethanedioic acid; 3-[[3-(4-ethanoyl-2-methoxy-phenoxy)-2-oxidanyl-propyl]-(2-methylpropyl)amino]propanenitrile Openeye Name: 3-[[3-(4-acetyl-2-methoxy-phenoxy)-2-hydroxy-propyl]-isobutyl-amino]propanenitrile; oxalic acid CAS Name: 3-[[3-(4-acetyl-2-methoxyphenoxy)-2-hydroxypropyl]-(2-methylpropyl)amino]propanenitrile; oxalic acid IUPAC Name: 3-[[3-(4-acetyl-2-methoxyphenoxy)-2-hydroxypropyl]-(2-methylpropyl)amino]propanenitrile; oxalic acid Traditional Name: 3-[[3-(4-acetyl-2-methoxy-phenoxy)-2-hydroxy-propyl]-isobutyl-amino]propionitrile; oxalic acid Formula: C21H30N2O8 MolecularWeight: 438.4715

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CCC#N)CC(COC1=C(C=C(C=C1)C(=O)C)OC)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)CN(CCC#N)CC(COC1=C(C=C(C=C1)C(=O)C)OC)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H28N2O4.C2H2O4/c1-14(2)11-21(9-5-8-20)12-17(23)13-25-18-7-6-16(15(3)22)10-19(18)24-4;3-1(4)2(5)6/h6-7,10,14,17,23H,5,9,11-13H2,1-4H3;(H,3,4)(H,5,6)