4-[[4-[(4-fluorophenyl)methoxy]phenyl]methylsulfanylcarbonyl]piperazine-1-carboxylic acid

Systemtic Name: 4-[[4-[(4-fluorophenyl)methoxy]phenyl]methylsulfanylcarbonyl]piperazine-1-carboxylic acid Openeye Name: 4-[[4-[(4-fluorophenyl)methoxy]phenyl]methylsulfanylcarbonyl]piperazine-1-carboxylic acid CAS Name: 4-[[[4-[(4-fluorophenyl)methoxy]phenyl]methylthio]-oxomethyl]-1-piperazinecarboxylic acid IUPAC Name: 4-[[4-[(4-fluorophenyl)methoxy]phenyl]methylsulfanylcarbonyl]piperazine-1-carboxylic acid Traditional Name: 4-[[4-(4-fluorobenzyl)oxybenzyl]thio]carbonylpiperazine-1-carboxylic acid Formula: C20H21FN2O4S MolecularWeight: 404.455143

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)O)C(=O)SCC2=CC=C(C=C2)OCC3=CC=C(C=C3)F

Isomeric SMILES

C1CN(CCN1C(=O)O)C(=O)SCC2=CC=C(C=C2)OCC3=CC=C(C=C3)F

InChI

InChI=1S/C20H21FN2O4S/c21-17-5-1-15(2-6-17)13-27-18-7-3-16(4-8-18)14-28-20(26)23-11-9-22(10-12-23)19(24)25/h1-8H,9-14H2,(H,24,25)