4-[[1-[2-(4-cyanophenyl)ethyl]-4-oxidanyl-piperidin-4-yl]methylamino]benzoic acid

Systemtic Name: 4-[[1-[2-(4-cyanophenyl)ethyl]-4-oxidanyl-piperidin-4-yl]methylamino]benzoic acid Openeye Name: 4-[[1-[2-(4-cyanophenyl)ethyl]-4-hydroxy-4-piperidyl]methylamino]benzoic acid CAS Name: 4-[[1-[2-(4-cyanophenyl)ethyl]-4-hydroxy-4-piperidinyl]methylamino]benzoic acid IUPAC Name: 4-[[1-[2-(4-cyanophenyl)ethyl]-4-hydroxypiperidin-4-yl]methylamino]benzoic acid Traditional Name: 4-[[1-[2-(4-cyanophenyl)ethyl]-4-hydroxy-4-piperidyl]methylamino]benzoic acid Formula: C22H25N3O3 MolecularWeight: 379.4522

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(CNC2=CC=C(C=C2)C(=O)O)O)CCC3=CC=C(C=C3)C#N

Isomeric SMILES

C1CN(CCC1(CNC2=CC=C(C=C2)C(=O)O)O)CCC3=CC=C(C=C3)C#N

InChI

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