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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1(C(CCC2=CC=CC=C2C#N)CNC3=CC=C(C=C3)C(=O)O)O

Isomeric SMILES

C1CNCCC1(C(CCC2=CC=CC=C2C#N)CNC3=CC=C(C=C3)C(=O)O)O

InChI

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