4-[3-[[2-(4-hydroxyphenyl)-2-oxidanyl-ethyl]amino]-2-oxidanyl-propoxy]benzenecarbonitrile

Systemtic Name: 4-[3-[[2-(4-hydroxyphenyl)-2-oxidanyl-ethyl]amino]-2-oxidanyl-propoxy]benzenecarbonitrile Openeye Name: 4-[2-hydroxy-3-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]propoxy]benzonitrile CAS Name: 4-[2-hydroxy-3-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]propoxy]benzonitrile IUPAC Name: 4-[2-hydroxy-3-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]propoxy]benzonitrile Traditional Name: 4-[2-hydroxy-3-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]propoxy]benzonitrile Formula: C18H20N2O4 MolecularWeight: 328.3624

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)OCC(CNCC(C2=CC=C(C=C2)O)O)O

Isomeric SMILES

C1=CC(=CC=C1C#N)OCC(CNCC(C2=CC=C(C=C2)O)O)O

InChI

InChI=1S/C18H20N2O4/c19-9-13-1-7-17(8-2-13)24-12-16(22)10-20-11-18(23)14-3-5-15(21)6-4-14/h1-8,16,18,20-23H,10-12H2