tert-butyl 4-[(4-cyano-3-fluoranyl-phenyl)methylidene]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[(4-cyano-3-fluoranyl-phenyl)methylidene]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[(4-cyano-3-fluoro-phenyl)methylene]piperidine-1-carboxylate CAS Name: 4-[(4-cyano-3-fluorophenyl)methylidene]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(4-cyano-3-fluorophenyl)methylidene]piperidine-1-carboxylate Traditional Name: 4-(4-cyano-3-fluoro-benzylidene)piperidine-1-carboxylic acid tert-butyl ester Formula: C18H21FN2O2 MolecularWeight: 316.369943

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(=CC2=CC(=C(C=C2)C#N)F)CC1

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(=CC2=CC(=C(C=C2)C#N)F)CC1

InChI

InChI=1S/C18H21FN2O2/c1-18(2,3)23-17(22)21-8-6-13(7-9-21)10-14-4-5-15(12-20)16(19)11-14/h4-5,10-11H,6-9H2,1-3H3