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

Systemtic Name: ethanedioic acid; 3-[2-methylpropyl-(2-oxidanyl-3-phenoxy-propyl)amino]propanenitrile Openeye Name: 3-[(2-hydroxy-3-phenoxy-propyl)-isobutyl-amino]propanenitrile; oxalic acid CAS Name: 3-[(2-hydroxy-3-phenoxypropyl)-(2-methylpropyl)amino]propanenitrile; oxalic acid IUPAC Name: 3-[(2-hydroxy-3-phenoxypropyl)-(2-methylpropyl)amino]propanenitrile; oxalic acid Traditional Name: 3-[(2-hydroxy-3-phenoxy-propyl)-isobutyl-amino]propionitrile; oxalic acid Formula: C18H26N2O6 MolecularWeight: 366.40884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N2O2.C2H2O4/c1-14(2)11-18(10-6-9-17)12-15(19)13-20-16-7-4-3-5-8-16;3-1(4)2(5)6/h3-5,7-8,14-15,19H,6,10-13H2,1-2H3;(H,3,4)(H,5,6)