tert-butyl 4-[3-(3-fluoranyl-4-methylsulfanyl-phenoxy)propyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-(3-fluoranyl-4-methylsulfanyl-phenoxy)propyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[3-(3-fluoro-4-methylsulfanyl-phenoxy)propyl]piperidine-1-carboxylate CAS Name: 4-[3-[3-fluoro-4-(methylthio)phenoxy]propyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-(3-fluoro-4-methylsulfanylphenoxy)propyl]piperidine-1-carboxylate Traditional Name: 4-[3-[3-fluoro-4-(methylthio)phenoxy]propyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C20H30FNO3S MolecularWeight: 383.520503

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)CCCOC2=CC(=C(C=C2)SC)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)CCCOC2=CC(=C(C=C2)SC)F

InChI

InChI=1S/C20H30FNO3S/c1-20(2,3)25-19(23)22-11-9-15(10-12-22)6-5-13-24-16-7-8-18(26-4)17(21)14-16/h7-8,14-15H,5-6,9-13H2,1-4H3