tert-butyl 4-[1-(4-chlorophenyl)-3-ethoxy-3-oxidanylidene-propyl]-4-fluoranyl-piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[1-(4-chlorophenyl)-3-ethoxy-3-oxidanylidene-propyl]-4-fluoranyl-piperidine-1-carboxylate Openeye Name: tert-butyl 4-[1-(4-chlorophenyl)-3-ethoxy-3-oxo-propyl]-4-fluoro-piperidine-1-carboxylate CAS Name: 4-[1-(4-chlorophenyl)-3-ethoxy-3-oxopropyl]-4-fluoro-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[1-(4-chlorophenyl)-3-ethoxy-3-oxopropyl]-4-fluoropiperidine-1-carboxylate Traditional Name: 4-[1-(4-chlorophenyl)-3-ethoxy-3-keto-propyl]-4-fluoro-piperidine-1-carboxylic acid tert-butyl ester Formula: C21H29ClFNO4 MolecularWeight: 413.910663

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=CC=C(C=C1)Cl)C2(CCN(CC2)C(=O)OC(C)(C)C)F

Isomeric SMILES

CCOC(=O)CC(C1=CC=C(C=C1)Cl)C2(CCN(CC2)C(=O)OC(C)(C)C)F

InChI

InChI=1S/C21H29ClFNO4/c1-5-27-18(25)14-17(15-6-8-16(22)9-7-15)21(23)10-12-24(13-11-21)19(26)28-20(2,3)4/h6-9,17H,5,10-14H2,1-4H3