4-[[3-(4-cyanophenyl)-1-(4-oxidanylpiperidin-4-yl)propyl]amino]benzoic acid

Systemtic Name: 4-[[3-(4-cyanophenyl)-1-(4-oxidanylpiperidin-4-yl)propyl]amino]benzoic acid Openeye Name: 4-[[3-(4-cyanophenyl)-1-(4-hydroxy-4-piperidyl)propyl]amino]benzoic acid CAS Name: 4-[[3-(4-cyanophenyl)-1-(4-hydroxy-4-piperidinyl)propyl]amino]benzoic acid IUPAC Name: 4-[[3-(4-cyanophenyl)-1-(4-hydroxypiperidin-4-yl)propyl]amino]benzoic acid Traditional Name: 4-[[3-(4-cyanophenyl)-1-(4-hydroxy-4-piperidyl)propyl]amino]benzoic acid Formula: C22H25N3O3 MolecularWeight: 379.4522

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1(C(CCC2=CC=C(C=C2)C#N)NC3=CC=C(C=C3)C(=O)O)O

Isomeric SMILES

C1CNCCC1(C(CCC2=CC=C(C=C2)C#N)NC3=CC=C(C=C3)C(=O)O)O

InChI

InChI=1S/C22H25N3O3/c23-15-17-3-1-16(2-4-17)5-10-20(22(28)11-13-24-14-12-22)25-19-8-6-18(7-9-19)21(26)27/h1-4,6-9,20,24-25,28H,5,10-14H2,(H,26,27)