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

Systemtic Name: 4-[3-(4-cyanophenyl)-1-(4-oxidanylpiperidin-4-yl)propoxy]benzoic acid Openeye Name: 4-[3-(4-cyanophenyl)-1-(4-hydroxy-4-piperidyl)propoxy]benzoic acid CAS Name: 4-[3-(4-cyanophenyl)-1-(4-hydroxy-4-piperidinyl)propoxy]benzoic acid IUPAC Name: 4-[3-(4-cyanophenyl)-1-(4-hydroxypiperidin-4-yl)propoxy]benzoic acid Traditional Name: 4-[3-(4-cyanophenyl)-1-(4-hydroxy-4-piperidyl)propoxy]benzoic acid Formula: C22H24N2O4 MolecularWeight: 380.43696

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1(C(CCC2=CC=C(C=C2)C#N)OC3=CC=C(C=C3)C(=O)O)O

Isomeric SMILES

C1CNCCC1(C(CCC2=CC=C(C=C2)C#N)OC3=CC=C(C=C3)C(=O)O)O

InChI

InChI=1S/C22H24N2O4/c23-15-17-3-1-16(2-4-17)5-10-20(22(27)11-13-24-14-12-22)28-19-8-6-18(7-9-19)21(25)26/h1-4,6-9,20,24,27H,5,10-14H2,(H,25,26)