2-[6-[[2-(2-chlorophenyl)-2-oxidanyl-ethyl]amino]hexyl]benzoic acid

Systemtic Name: 2-[6-[[2-(2-chlorophenyl)-2-oxidanyl-ethyl]amino]hexyl]benzoic acid Openeye Name: 2-[6-[[2-(2-chlorophenyl)-2-hydroxy-ethyl]amino]hexyl]benzoic acid CAS Name: 2-[6-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]hexyl]benzoic acid IUPAC Name: 2-[6-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]hexyl]benzoic acid Traditional Name: 2-[6-[[2-(2-chlorophenyl)-2-hydroxy-ethyl]amino]hexyl]benzoic acid Formula: C21H26ClNO3 MolecularWeight: 375.88904

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CCCCCCNCC(C2=CC=CC=C2Cl)O)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)CCCCCCNCC(C2=CC=CC=C2Cl)O)C(=O)O

InChI

InChI=1S/C21H26ClNO3/c22-19-13-7-6-12-18(19)20(24)15-23-14-8-2-1-3-9-16-10-4-5-11-17(16)21(25)26/h4-7,10-13,20,23-24H,1-3,8-9,14-15H2,(H,25,26)