sodium 4-[[4-(4-cyanophenyl)-2-(4-oxidanylpiperidin-4-yl)butyl]amino]benzoate

Systemtic Name: sodium 4-[[4-(4-cyanophenyl)-2-(4-oxidanylpiperidin-4-yl)butyl]amino]benzoate Openeye Name: sodium 4-[[4-(4-cyanophenyl)-2-(4-hydroxy-4-piperidyl)butyl]amino]benzoate CAS Name: sodium 4-[[4-(4-cyanophenyl)-2-(4-hydroxy-4-piperidinyl)butyl]amino]benzoate IUPAC Name: sodium 4-[[4-(4-cyanophenyl)-2-(4-hydroxypiperidin-4-yl)butyl]amino]benzoate Traditional Name: sodium 4-[[4-(4-cyanophenyl)-2-(4-hydroxy-4-piperidyl)butyl]amino]benzoate Formula: C23H26N3NaO3 MolecularWeight: 415.46061

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1(C(CCC2=CC=C(C=C2)C#N)CNC3=CC=C(C=C3)C(=O)[O-])O.[Na+]

Isomeric SMILES

C1CNCCC1(C(CCC2=CC=C(C=C2)C#N)CNC3=CC=C(C=C3)C(=O)[O-])O.[Na+]

InChI

InChI=1S/C23H27N3O3.Na/c24-15-18-3-1-17(2-4-18)5-8-20(23(29)11-13-25-14-12-23)16-26-21-9-6-19(7-10-21)22(27)28;/h1-4,6-7,9-10,20,25-26,29H,5,8,11-14,16H2,(H,27,28);/q;+1/p-1