tert-butyl 4-[2-[bis(fluoranyl)methoxy]-5-pentanoyl-phenoxy]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-[bis(fluoranyl)methoxy]-5-pentanoyl-phenoxy]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-(difluoromethoxy)-5-pentanoyl-phenoxy]piperidine-1-carboxylate CAS Name: 4-[2-(difluoromethoxy)-5-(1-oxopentyl)phenoxy]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(difluoromethoxy)-5-pentanoylphenoxy]piperidine-1-carboxylate Traditional Name: 4-[2-(difluoromethoxy)-5-valeryl-phenoxy]piperidine-1-carboxylic acid tert-butyl ester Formula: C22H31F2NO5 MolecularWeight: 427.482046

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)C1=CC(=C(C=C1)OC(F)F)OC2CCN(CC2)C(=O)OC(C)(C)C

Isomeric SMILES

CCCCC(=O)C1=CC(=C(C=C1)OC(F)F)OC2CCN(CC2)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H31F2NO5/c1-5-6-7-17(26)15-8-9-18(29-20(23)24)19(14-15)28-16-10-12-25(13-11-16)21(27)30-22(2,3)4/h8-9,14,16,20H,5-7,10-13H2,1-4H3