ethyl (2S)-4-cyano-2-methyl-1-(phenylmethyl)piperidine-4-carboxylate

Systemtic Name: ethyl (2S)-4-cyano-2-methyl-1-(phenylmethyl)piperidine-4-carboxylate Openeye Name: ethyl (2S)-1-benzyl-4-cyano-2-methyl-piperidine-4-carboxylate CAS Name: (2S)-4-cyano-2-methyl-1-(phenylmethyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (2S)-1-benzyl-4-cyano-2-methylpiperidine-4-carboxylate Traditional Name: (2S)-1-benzyl-4-cyano-2-methyl-isonipecotic acid ethyl ester Formula: C17H22N2O2 MolecularWeight: 286.36878

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(C(C1)C)CC2=CC=CC=C2)C#N

Isomeric SMILES

CCOC(=O)C1(CCN([C@H](C1)C)CC2=CC=CC=C2)C#N

InChI

InChI=1S/C17H22N2O2/c1-3-21-16(20)17(13-18)9-10-19(14(2)11-17)12-15-7-5-4-6-8-15/h4-8,14H,3,9-12H2,1-2H3/t14-,17?/m0/s1