(phenylmethyl) (2R,6R)-2-ethynyl-6-hexyl-piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) (2R,6R)-2-ethynyl-6-hexyl-piperidine-1-carboxylate Openeye Name: benzyl (2R,6R)-2-ethynyl-6-hexyl-piperidine-1-carboxylate CAS Name: (2R,6R)-2-ethynyl-6-hexyl-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2R,6R)-2-ethynyl-6-hexylpiperidine-1-carboxylate Traditional Name: (2R,6R)-2-ethynyl-6-hexyl-piperidine-1-carboxylic acid benzyl ester Formula: C21H29NO2 MolecularWeight: 327.46046

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1CCCC(N1C(=O)OCC2=CC=CC=C2)C#C

Isomeric SMILES

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

InChI

InChI=1S/C21H29NO2/c1-3-5-6-10-14-20-16-11-15-19(4-2)22(20)21(23)24-17-18-12-8-7-9-13-18/h2,7-9,12-13,19-20H,3,5-6,10-11,14-17H2,1H3/t19-,20+/m0/s1