ethanedioic acid; 2-[4-[3-(2-morpholin-4-ylethylamino)-2-oxidanyl-propoxy]phenyl]ethanenitrile

Systemtic Name: ethanedioic acid; 2-[4-[3-(2-morpholin-4-ylethylamino)-2-oxidanyl-propoxy]phenyl]ethanenitrile Openeye Name: 2-[4-[2-hydroxy-3-(2-morpholinoethylamino)propoxy]phenyl]acetonitrile; oxalic acid CAS Name: 2-[4-[2-hydroxy-3-[2-(4-morpholinyl)ethylamino]propoxy]phenyl]acetonitrile; oxalic acid IUPAC Name: 2-[4-[2-hydroxy-3-(2-morpholin-4-ylethylamino)propoxy]phenyl]acetonitrile; oxalic acid Traditional Name: 2-[4-[2-hydroxy-3-(2-morpholinoethylamino)propoxy]phenyl]acetonitrile; oxalic acid Formula: C21H29N3O11 MolecularWeight: 499.46846

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCNCC(COC2=CC=C(C=C2)CC#N)O.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

C1COCCN1CCNCC(COC2=CC=C(C=C2)CC#N)O.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H25N3O3.2C2H2O4/c18-6-5-15-1-3-17(4-2-15)23-14-16(21)13-19-7-8-20-9-11-22-12-10-20;2*3-1(4)2(5)6/h1-4,16,19,21H,5,7-14H2;2*(H,3,4)(H,5,6)