4-[1-[4-[2-(1H-imidazol-2-ylsulfanyl)ethyl]phenoxy]carbonylpiperidin-4-yl]oxybenzoic acid

Systemtic Name: 4-[1-[4-[2-(1H-imidazol-2-ylsulfanyl)ethyl]phenoxy]carbonylpiperidin-4-yl]oxybenzoic acid Openeye Name: 4-[[1-[4-[2-(1H-imidazol-2-ylsulfanyl)ethyl]phenoxy]carbonyl-4-piperidyl]oxy]benzoic acid CAS Name: 4-[[1-[[4-[2-(1H-imidazol-2-ylthio)ethyl]phenoxy]-oxomethyl]-4-piperidinyl]oxy]benzoic acid IUPAC Name: 4-[1-[4-[2-(1H-imidazol-2-ylsulfanyl)ethyl]phenoxy]carbonylpiperidin-4-yl]oxybenzoic acid Traditional Name: 4-[[1-[4-[2-(1H-imidazol-2-ylthio)ethyl]phenoxy]carbonyl-4-piperidyl]oxy]benzoic acid Formula: C24H25N3O5S MolecularWeight: 467.5374

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1OC2=CC=C(C=C2)C(=O)O)C(=O)OC3=CC=C(C=C3)CCSC4=NC=CN4

Isomeric SMILES

C1CN(CCC1OC2=CC=C(C=C2)C(=O)O)C(=O)OC3=CC=C(C=C3)CCSC4=NC=CN4

InChI

InChI=1S/C24H25N3O5S/c28-22(29)18-3-7-19(8-4-18)31-21-9-14-27(15-10-21)24(30)32-20-5-1-17(2-6-20)11-16-33-23-25-12-13-26-23/h1-8,12-13,21H,9-11,14-16H2,(H,25,26)(H,28,29)