5-[4-[[3-(2-cyanophenoxy)-2-oxidanyl-propyl]amino]butoxy]-2-oxidanyl-benzamide

Systemtic Name: 5-[4-[[3-(2-cyanophenoxy)-2-oxidanyl-propyl]amino]butoxy]-2-oxidanyl-benzamide Openeye Name: 5-[4-[[3-(2-cyanophenoxy)-2-hydroxy-propyl]amino]butoxy]-2-hydroxy-benzamide CAS Name: 5-[4-[[3-(2-cyanophenoxy)-2-hydroxypropyl]amino]butoxy]-2-hydroxybenzamide IUPAC Name: 5-[4-[[3-(2-cyanophenoxy)-2-hydroxypropyl]amino]butoxy]-2-hydroxybenzamide Traditional Name: 5-[4-[[3-(2-cyanophenoxy)-2-hydroxy-propyl]amino]butoxy]-2-hydroxy-benzamide Formula: C21H25N3O5 MolecularWeight: 399.4403

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)OCC(CNCCCCOC2=CC(=C(C=C2)O)C(=O)N)O

Isomeric SMILES

C1=CC=C(C(=C1)C#N)OCC(CNCCCCOC2=CC(=C(C=C2)O)C(=O)N)O

InChI

InChI=1S/C21H25N3O5/c22-12-15-5-1-2-6-20(15)29-14-16(25)13-24-9-3-4-10-28-17-7-8-19(26)18(11-17)21(23)27/h1-2,5-8,11,16,24-26H,3-4,9-10,13-14H2,(H2,23,27)