(phenylmethyl) (2R,6R)-2-(3-ethoxy-3-oxidanylidene-propyl)-6-propyl-piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) (2R,6R)-2-(3-ethoxy-3-oxidanylidene-propyl)-6-propyl-piperidine-1-carboxylate Openeye Name: benzyl (2R,6R)-2-(3-ethoxy-3-oxo-propyl)-6-propyl-piperidine-1-carboxylate CAS Name: (2R,6R)-2-(3-ethoxy-3-oxopropyl)-6-propyl-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2R,6R)-2-(3-ethoxy-3-oxopropyl)-6-propylpiperidine-1-carboxylate Traditional Name: (2R,6R)-2-(3-ethoxy-3-keto-propyl)-6-propyl-piperidine-1-carboxylic acid benzyl ester Formula: C21H31NO4 MolecularWeight: 361.47514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1CCCC(N1C(=O)OCC2=CC=CC=C2)CCC(=O)OCC

Isomeric SMILES

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

InChI

InChI=1S/C21H31NO4/c1-3-9-18-12-8-13-19(14-15-20(23)25-4-2)22(18)21(24)26-16-17-10-6-5-7-11-17/h5-7,10-11,18-19H,3-4,8-9,12-16H2,1-2H3/t18-,19-/m1/s1