ethyl 2-[(2S,6S)-1-[(1R)-2-oxidanyl-1-phenyl-ethyl]-6-propyl-piperidin-2-yl]ethanoate

Systemtic Name: ethyl 2-[(2S,6S)-1-[(1R)-2-oxidanyl-1-phenyl-ethyl]-6-propyl-piperidin-2-yl]ethanoate Openeye Name: ethyl 2-[(2S,6S)-1-[(1R)-2-hydroxy-1-phenyl-ethyl]-6-propyl-2-piperidyl]acetate CAS Name: 2-[(2S,6S)-1-[(1R)-2-hydroxy-1-phenylethyl]-6-propyl-2-piperidinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[(2S,6S)-1-[(1R)-2-hydroxy-1-phenylethyl]-6-propylpiperidin-2-yl]acetate Traditional Name: 2-[(2S,6S)-1-[(1R)-2-hydroxy-1-phenyl-ethyl]-6-propyl-2-piperidyl]acetic acid ethyl ester Formula: C20H31NO3 MolecularWeight: 333.46504

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CCCC(N1C(CO)C2=CC=CC=C2)CC(=O)OCC

Isomeric SMILES

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

InChI

InChI=1S/C20H31NO3/c1-3-9-17-12-8-13-18(14-20(23)24-4-2)21(17)19(15-22)16-10-6-5-7-11-16/h5-7,10-11,17-19,22H,3-4,8-9,12-15H2,1-2H3/t17-,18-,19-/m0/s1