2-[4-[3-[[2-(dimethylamino)-2-phenyl-ethyl]amino]-2-oxidanyl-propoxy]phenyl]ethanenitrile; ethanedioic acid

Systemtic Name: 2-[4-[3-[[2-(dimethylamino)-2-phenyl-ethyl]amino]-2-oxidanyl-propoxy]phenyl]ethanenitrile; ethanedioic acid Openeye Name: 2-[4-[3-[[2-(dimethylamino)-2-phenyl-ethyl]amino]-2-hydroxy-propoxy]phenyl]acetonitrile; oxalic acid CAS Name: 2-[4-[3-[[2-(dimethylamino)-2-phenylethyl]amino]-2-hydroxypropoxy]phenyl]acetonitrile; oxalic acid IUPAC Name: 2-[4-[3-[[2-(dimethylamino)-2-phenylethyl]amino]-2-hydroxypropoxy]phenyl]acetonitrile; oxalic acid Traditional Name: 2-[4-[3-[[2-(dimethylamino)-2-phenyl-ethyl]amino]-2-hydroxy-propoxy]phenyl]acetonitrile; oxalic acid Formula: C25H31N3O10 MolecularWeight: 533.52774

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(CNCC(COC1=CC=C(C=C1)CC#N)O)C2=CC=CC=C2.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

CN(C)C(CNCC(COC1=CC=C(C=C1)CC#N)O)C2=CC=CC=C2.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H27N3O2.2C2H2O4/c1-24(2)21(18-6-4-3-5-7-18)15-23-14-19(25)16-26-20-10-8-17(9-11-20)12-13-22;2*3-1(4)2(5)6/h3-11,19,21,23,25H,12,14-16H2,1-2H3;2*(H,3,4)(H,5,6)