ethanedioic acid; 4-[2-oxidanyl-3-[4-(2-phenoxyethyl)piperazin-1-yl]propoxy]benzenecarbonitrile

Systemtic Name: ethanedioic acid; 4-[2-oxidanyl-3-[4-(2-phenoxyethyl)piperazin-1-yl]propoxy]benzenecarbonitrile Openeye Name: 4-[2-hydroxy-3-[4-(2-phenoxyethyl)piperazin-1-yl]propoxy]benzonitrile; oxalic acid CAS Name: 4-[2-hydroxy-3-[4-(2-phenoxyethyl)-1-piperazinyl]propoxy]benzonitrile; oxalic acid IUPAC Name: 4-[2-hydroxy-3-[4-(2-phenoxyethyl)piperazin-1-yl]propoxy]benzonitrile; oxalic acid Traditional Name: 4-[2-hydroxy-3-[4-(2-phenoxyethyl)piperazino]propoxy]benzonitrile; oxalic acid Formula: C24H29N3O7 MolecularWeight: 471.50296

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCOC2=CC=CC=C2)CC(COC3=CC=C(C=C3)C#N)O.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CCOC2=CC=CC=C2)CC(COC3=CC=C(C=C3)C#N)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H27N3O3.C2H2O4/c23-16-19-6-8-22(9-7-19)28-18-20(26)17-25-12-10-24(11-13-25)14-15-27-21-4-2-1-3-5-21;3-1(4)2(5)6/h1-9,20,26H,10-15,17-18H2;(H,3,4)(H,5,6)