3-[[4-(4-cyanophenyl)-2-(4-oxidanylpiperidin-4-yl)butyl]amino]benzoic acid

Systemtic Name: 3-[[4-(4-cyanophenyl)-2-(4-oxidanylpiperidin-4-yl)butyl]amino]benzoic acid Openeye Name: 3-[[4-(4-cyanophenyl)-2-(4-hydroxy-4-piperidyl)butyl]amino]benzoic acid CAS Name: 3-[[4-(4-cyanophenyl)-2-(4-hydroxy-4-piperidinyl)butyl]amino]benzoic acid IUPAC Name: 3-[[4-(4-cyanophenyl)-2-(4-hydroxypiperidin-4-yl)butyl]amino]benzoic acid Traditional Name: 3-[[4-(4-cyanophenyl)-2-(4-hydroxy-4-piperidyl)butyl]amino]benzoic acid Formula: C23H27N3O3 MolecularWeight: 393.47878

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1(C(CCC2=CC=C(C=C2)C#N)CNC3=CC=CC(=C3)C(=O)O)O

Isomeric SMILES

C1CNCCC1(C(CCC2=CC=C(C=C2)C#N)CNC3=CC=CC(=C3)C(=O)O)O

InChI

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