ethyl (3S)-1-[(4-cyano-2-fluoranyl-phenyl)methyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(4-cyano-2-fluoranyl-phenyl)methyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[(4-cyano-2-fluoro-phenyl)methyl]piperidine-3-carboxylate CAS Name: (3S)-1-[(4-cyano-2-fluorophenyl)methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(4-cyano-2-fluorophenyl)methyl]piperidine-3-carboxylate Traditional Name: (3S)-1-(4-cyano-2-fluoro-benzyl)nipecotic acid ethyl ester Formula: C16H19FN2O2 MolecularWeight: 290.332663

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)CC2=C(C=C(C=C2)C#N)F

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)CC2=C(C=C(C=C2)C#N)F

InChI

InChI=1S/C16H19FN2O2/c1-2-21-16(20)14-4-3-7-19(11-14)10-13-6-5-12(9-18)8-15(13)17/h5-6,8,14H,2-4,7,10-11H2,1H3/t14-/m0/s1