(Z)-2-[3-(2-cyanophenoxy)-1-[[2-(3-hydroxyphenyl)-2-oxidanyl-ethyl]amino]-1-oxidanyl-propan-2-yl]but-2-enedioic acid

Systemtic Name: (Z)-2-[3-(2-cyanophenoxy)-1-[[2-(3-hydroxyphenyl)-2-oxidanyl-ethyl]amino]-1-oxidanyl-propan-2-yl]but-2-enedioic acid Openeye Name: (Z)-2-[1-[(2-cyanophenoxy)methyl]-2-hydroxy-2-[[2-hydroxy-2-(3-hydroxyphenyl)ethyl]amino]ethyl]but-2-enedioic acid CAS Name: (Z)-2-[3-(2-cyanophenoxy)-1-hydroxy-1-[[2-hydroxy-2-(3-hydroxyphenyl)ethyl]amino]propan-2-yl]-2-butenedioic acid IUPAC Name: (Z)-2-[3-(2-cyanophenoxy)-1-hydroxy-1-[[2-hydroxy-2-(3-hydroxyphenyl)ethyl]amino]propan-2-yl]but-2-enedioic acid Traditional Name: (Z)-2-[1-[(2-cyanophenoxy)methyl]-2-hydroxy-2-[[2-hydroxy-2-(3-hydroxyphenyl)ethyl]amino]ethyl]but-2-enedioic acid Formula: C22H22N2O8 MolecularWeight: 442.41868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC=C(C(=C1)C#N)OCC(C(NCC(C2=CC(=CC=C2)O)O)O)/C(=C/C(=O)O)/C(=O)O

InChI

InChI=1S/C22H22N2O8/c23-10-14-4-1-2-7-19(14)32-12-17(16(22(30)31)9-20(27)28)21(29)24-11-18(26)13-5-3-6-15(25)8-13/h1-9,17-18,21,24-26,29H,11-12H2,(H,27,28)(H,30,31)/b16-9-