3-chloranyl-4-[2-oxidanyl-3-[4-(2-oxidanylethanoyl)-2-propyl-phenoxy]propoxy]benzenecarbonitrile

Systemtic Name: 3-chloranyl-4-[2-oxidanyl-3-[4-(2-oxidanylethanoyl)-2-propyl-phenoxy]propoxy]benzenecarbonitrile Openeye Name: 3-chloro-4-[2-hydroxy-3-[4-(2-hydroxyacetyl)-2-propyl-phenoxy]propoxy]benzonitrile CAS Name: 3-chloro-4-[2-hydroxy-3-[4-(2-hydroxy-1-oxoethyl)-2-propylphenoxy]propoxy]benzonitrile IUPAC Name: 3-chloro-4-[2-hydroxy-3-[4-(2-hydroxyacetyl)-2-propylphenoxy]propoxy]benzonitrile Traditional Name: 3-chloro-4-[3-(4-glycoloyl-2-propyl-phenoxy)-2-hydroxy-propoxy]benzonitrile Formula: C21H22ClNO5 MolecularWeight: 403.85608

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)C(=O)CO)OCC(COC2=C(C=C(C=C2)C#N)Cl)O

Isomeric SMILES

CCCC1=C(C=CC(=C1)C(=O)CO)OCC(COC2=C(C=C(C=C2)C#N)Cl)O

InChI

InChI=1S/C21H22ClNO5/c1-2-3-16-9-15(19(26)11-24)5-7-20(16)27-12-17(25)13-28-21-6-4-14(10-23)8-18(21)22/h4-9,17,24-25H,2-3,11-13H2,1H3