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

Systemtic Name: (phenylmethyl) (2R,6R)-2-[(E)-3-oxidanylideneprop-1-enyl]-6-pentyl-piperidine-1-carboxylate Openeye Name: benzyl (2R,6R)-2-[(E)-3-oxoprop-1-enyl]-6-pentyl-piperidine-1-carboxylate CAS Name: (2R,6R)-2-[(E)-3-oxoprop-1-enyl]-6-pentyl-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2R,6R)-2-[(E)-3-oxoprop-1-enyl]-6-pentylpiperidine-1-carboxylate Traditional Name: (2R,6R)-2-amyl-6-[(E)-3-ketoprop-1-enyl]piperidine-1-carboxylic acid benzyl ester Formula: C21H29NO3 MolecularWeight: 343.45986

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCCC(N1C(=O)OCC2=CC=CC=C2)C=CC=O

Isomeric SMILES

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

InChI

InChI=1S/C21H29NO3/c1-2-3-5-12-19-13-8-14-20(15-9-16-23)22(19)21(24)25-17-18-10-6-4-7-11-18/h4,6-7,9-11,15-16,19-20H,2-3,5,8,12-14,17H2,1H3/b15-9+/t19-,20-/m1/s1