ethanedioic acid; 4-[3-[[2-(1H-indol-3-yl)-2-phenyl-ethyl]amino]-2-oxidanyl-propoxy]benzenecarbonitrile

Systemtic Name: ethanedioic acid; 4-[3-[[2-(1H-indol-3-yl)-2-phenyl-ethyl]amino]-2-oxidanyl-propoxy]benzenecarbonitrile Openeye Name: 4-[2-hydroxy-3-[[2-(1H-indol-3-yl)-2-phenyl-ethyl]amino]propoxy]benzonitrile; oxalic acid CAS Name: 4-[2-hydroxy-3-[[2-(1H-indol-3-yl)-2-phenylethyl]amino]propoxy]benzonitrile; oxalic acid IUPAC Name: 4-[2-hydroxy-3-[[2-(1H-indol-3-yl)-2-phenylethyl]amino]propoxy]benzonitrile; oxalic acid Traditional Name: 4-[2-hydroxy-3-[[2-(1H-indol-3-yl)-2-phenyl-ethyl]amino]propoxy]benzonitrile; oxalic acid Formula: C28H27N3O6 MolecularWeight: 501.53048

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CNCC(COC2=CC=C(C=C2)C#N)O)C3=CNC4=CC=CC=C43.C(=O)(C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)C(CNCC(COC2=CC=C(C=C2)C#N)O)C3=CNC4=CC=CC=C43.C(=O)(C(=O)O)O

InChI

InChI=1S/C26H25N3O2.C2H2O4/c27-14-19-10-12-22(13-11-19)31-18-21(30)15-28-16-24(20-6-2-1-3-7-20)25-17-29-26-9-5-4-8-23(25)26;3-1(4)2(5)6/h1-13,17,21,24,28-30H,15-16,18H2;(H,3,4)(H,5,6)