(phenylmethyl) (2S,6S)-2-cyano-6-methyl-2-undecyl-piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) (2S,6S)-2-cyano-6-methyl-2-undecyl-piperidine-1-carboxylate Openeye Name: benzyl (2S,6S)-2-cyano-6-methyl-2-undecyl-piperidine-1-carboxylate CAS Name: (2S,6S)-2-cyano-6-methyl-2-undecyl-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S,6S)-2-cyano-6-methyl-2-undecylpiperidine-1-carboxylate Traditional Name: (2S,6S)-2-cyano-6-methyl-2-undecyl-piperidine-1-carboxylic acid benzyl ester Formula: C26H40N2O2 MolecularWeight: 412.608

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1(CCCC(N1C(=O)OCC2=CC=CC=C2)C)C#N

Isomeric SMILES

CCCCCCCCCCC[C@]1(CCC[C@@H](N1C(=O)OCC2=CC=CC=C2)C)C#N

InChI

InChI=1S/C26H40N2O2/c1-3-4-5-6-7-8-9-10-14-19-26(22-27)20-15-16-23(2)28(26)25(29)30-21-24-17-12-11-13-18-24/h11-13,17-18,23H,3-10,14-16,19-21H2,1-2H3/t23-,26-/m0/s1