2-[(2S,6S)-2-(2-methoxy-2-oxidanylidene-ethyl)-6-pentyl-piperidin-1-yl]ethyl benzoate

Systemtic Name: 2-[(2S,6S)-2-(2-methoxy-2-oxidanylidene-ethyl)-6-pentyl-piperidin-1-yl]ethyl benzoate Openeye Name: 2-[(2S,6S)-2-(2-methoxy-2-oxo-ethyl)-6-pentyl-1-piperidyl]ethyl benzoate CAS Name: benzoic acid 2-[(2S,6S)-2-(2-methoxy-2-oxoethyl)-6-pentyl-1-piperidinyl]ethyl ester IUPAC Name: 2-[(2S,6S)-2-(2-methoxy-2-oxoethyl)-6-pentylpiperidin-1-yl]ethyl benzoate Traditional Name: benzoic acid 2-[(2S,6S)-2-amyl-6-(2-keto-2-methoxy-ethyl)piperidino]ethyl ester Formula: C22H33NO4 MolecularWeight: 375.50172

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCCC(N1CCOC(=O)C2=CC=CC=C2)CC(=O)OC

Isomeric SMILES

CCCCC[C@H]1CCC[C@H](N1CCOC(=O)C2=CC=CC=C2)CC(=O)OC

InChI

InChI=1S/C22H33NO4/c1-3-4-6-12-19-13-9-14-20(17-21(24)26-2)23(19)15-16-27-22(25)18-10-7-5-8-11-18/h5,7-8,10-11,19-20H,3-4,6,9,12-17H2,1-2H3/t19-,20-/m0/s1