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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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