1-[(2S,3S,6R)-2-(3-phenylmethoxypropyl)-6-propyl-piperidin-3-yl]propan-1-one

Systemtic Name: 1-[(2S,3S,6R)-2-(3-phenylmethoxypropyl)-6-propyl-piperidin-3-yl]propan-1-one Openeye Name: 1-[(2S,3S,6R)-2-(3-benzyloxypropyl)-6-propyl-3-piperidyl]propan-1-one CAS Name: 1-[(2S,3S,6R)-2-(3-phenylmethoxypropyl)-6-propyl-3-piperidinyl]-1-propanone IUPAC Name: 1-[(2S,3S,6R)-2-(3-phenylmethoxypropyl)-6-propylpiperidin-3-yl]propan-1-one Traditional Name: 1-[(2S,3S,6R)-2-(3-benzoxypropyl)-6-propyl-3-piperidyl]propan-1-one Formula: C21H33NO2 MolecularWeight: 331.49222

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CCC(C(N1)CCCOCC2=CC=CC=C2)C(=O)CC

Isomeric SMILES

CCC[C@@H]1CC[C@@H]([C@@H](N1)CCCOCC2=CC=CC=C2)C(=O)CC

InChI

InChI=1S/C21H33NO2/c1-3-9-18-13-14-19(21(23)4-2)20(22-18)12-8-15-24-16-17-10-6-5-7-11-17/h5-7,10-11,18-20,22H,3-4,8-9,12-16H2,1-2H3/t18-,19+,20+/m1/s1