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

Systemtic Name: (phenylmethyl) (2R,6R)-2-[(E)-3-oxidanylidenehept-1-enyl]-6-propyl-piperidine-1-carboxylate Openeye Name: benzyl (2R,6R)-2-[(E)-3-oxohept-1-enyl]-6-propyl-piperidine-1-carboxylate CAS Name: (2R,6R)-2-[(E)-3-oxohept-1-enyl]-6-propyl-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2R,6R)-2-[(E)-3-oxohept-1-enyl]-6-propylpiperidine-1-carboxylate Traditional Name: (2R,6R)-2-[(E)-3-ketohept-1-enyl]-6-propyl-piperidine-1-carboxylic acid benzyl ester Formula: C23H33NO3 MolecularWeight: 371.51302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)C=CC1CCCC(N1C(=O)OCC2=CC=CC=C2)CCC

Isomeric SMILES

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

InChI

InChI=1S/C23H33NO3/c1-3-5-15-22(25)17-16-21-14-9-13-20(10-4-2)24(21)23(26)27-18-19-11-7-6-8-12-19/h6-8,11-12,16-17,20-21H,3-5,9-10,13-15,18H2,1-2H3/b17-16+/t20-,21-/m1/s1