2-[4-[[2-(3-chlorophenyl)-2-oxidanyl-ethyl]amino]piperidin-1-yl]benzoic acid

Systemtic Name: 2-[4-[[2-(3-chlorophenyl)-2-oxidanyl-ethyl]amino]piperidin-1-yl]benzoic acid Openeye Name: 2-[4-[[2-(3-chlorophenyl)-2-hydroxy-ethyl]amino]-1-piperidyl]benzoic acid CAS Name: 2-[4-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-1-piperidinyl]benzoic acid IUPAC Name: 2-[4-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]piperidin-1-yl]benzoic acid Traditional Name: 2-[4-[[2-(3-chlorophenyl)-2-hydroxy-ethyl]amino]piperidino]benzoic acid Formula: C20H23ClN2O3 MolecularWeight: 374.86122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NCC(C2=CC(=CC=C2)Cl)O)C3=CC=CC=C3C(=O)O

Isomeric SMILES

C1CN(CCC1NCC(C2=CC(=CC=C2)Cl)O)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C20H23ClN2O3/c21-15-5-3-4-14(12-15)19(24)13-22-16-8-10-23(11-9-16)18-7-2-1-6-17(18)20(25)26/h1-7,12,16,19,22,24H,8-11,13H2,(H,25,26)