(phenylmethyl) (2R,6R)-2-hexyl-6-[(E)-3-oxidanylideneprop-1-enyl]piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) (2R,6R)-2-hexyl-6-[(E)-3-oxidanylideneprop-1-enyl]piperidine-1-carboxylate Openeye Name: benzyl (2R,6R)-2-hexyl-6-[(E)-3-oxoprop-1-enyl]piperidine-1-carboxylate CAS Name: (2R,6R)-2-hexyl-6-[(E)-3-oxoprop-1-enyl]-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2R,6R)-2-hexyl-6-[(E)-3-oxoprop-1-enyl]piperidine-1-carboxylate Traditional Name: (2R,6R)-2-hexyl-6-[(E)-3-ketoprop-1-enyl]piperidine-1-carboxylic acid benzyl ester Formula: C22H31NO3 MolecularWeight: 357.48644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31NO3/c1-2-3-4-8-13-20-14-9-15-21(16-10-17-24)23(20)22(25)26-18-19-11-6-5-7-12-19/h5-7,10-12,16-17,20-21H,2-4,8-9,13-15,18H2,1H3/b16-10+/t20-,21-/m1/s1