tert-butyl (2S,6R)-2-(2-oxidanylpropyl)-6-[(2S)-2-phenylmethoxypentyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl (2S,6R)-2-(2-oxidanylpropyl)-6-[(2S)-2-phenylmethoxypentyl]piperidine-1-carboxylate Openeye Name: tert-butyl (2R,6S)-2-[(2S)-2-benzyloxypentyl]-6-(2-hydroxypropyl)piperidine-1-carboxylate CAS Name: (2S,6R)-2-(2-hydroxypropyl)-6-[(2S)-2-phenylmethoxypentyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S,6R)-2-(2-hydroxypropyl)-6-[(2S)-2-phenylmethoxypentyl]piperidine-1-carboxylate Traditional Name: (2R,6S)-2-[(2S)-2-benzoxypentyl]-6-(2-hydroxypropyl)piperidine-1-carboxylic acid tert-butyl ester Formula: C25H41NO4 MolecularWeight: 419.59734

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC1CCCC(N1C(=O)OC(C)(C)C)CC(C)O)OCC2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C25H41NO4/c1-6-11-23(29-18-20-12-8-7-9-13-20)17-22-15-10-14-21(16-19(2)27)26(22)24(28)30-25(3,4)5/h7-9,12-13,19,21-23,27H,6,10-11,14-18H2,1-5H3/t19?,21-,22+,23-/m0/s1