1-[(S)-(2-chloranyl-6-fluoranyl-phenyl)-cyano-methyl]piperidine-4-carboxylate

Systemtic Name: 1-[(S)-(2-chloranyl-6-fluoranyl-phenyl)-cyano-methyl]piperidine-4-carboxylate Openeye Name: 1-[(S)-(2-chloro-6-fluoro-phenyl)-cyano-methyl]piperidine-4-carboxylate CAS Name: 1-[(S)-(2-chloro-6-fluorophenyl)-cyanomethyl]-4-piperidinecarboxylate IUPAC Name: 1-[(S)-(2-chloro-6-fluorophenyl)-cyanomethyl]piperidine-4-carboxylate Traditional Name: 1-[(S)-(2-chloro-6-fluoro-phenyl)-cyano-methyl]isonipecotate Formula: C14H13ClFN2O2- MolecularWeight: 295.716623

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)[O-])C(C#N)C2=C(C=CC=C2Cl)F

Isomeric SMILES

C1CN(CCC1C(=O)[O-])[C@H](C#N)C2=C(C=CC=C2Cl)F

InChI

InChI=1S/C14H14ClFN2O2/c15-10-2-1-3-11(16)13(10)12(8-17)18-6-4-9(5-7-18)14(19)20/h1-3,9,12H,4-7H2,(H,19,20)/p-1/t12-/m1/s1