tert-butyl (3S,4R,5R)-3-ethoxy-5-oxidanyl-4-[4-(3-phenylmethoxypropoxy)phenyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl (3S,4R,5R)-3-ethoxy-5-oxidanyl-4-[4-(3-phenylmethoxypropoxy)phenyl]piperidine-1-carboxylate Openeye Name: tert-butyl (3S,4R,5R)-4-[4-(3-benzyloxypropoxy)phenyl]-3-ethoxy-5-hydroxy-piperidine-1-carboxylate CAS Name: (3S,4R,5R)-3-ethoxy-5-hydroxy-4-[4-(3-phenylmethoxypropoxy)phenyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S,4R,5R)-3-ethoxy-5-hydroxy-4-[4-(3-phenylmethoxypropoxy)phenyl]piperidine-1-carboxylate Traditional Name: (3S,4R,5R)-4-[4-(3-benzoxypropoxy)phenyl]-3-ethoxy-5-hydroxy-piperidine-1-carboxylic acid tert-butyl ester Formula: C28H39NO6 MolecularWeight: 485.61236

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1CN(CC(C1C2=CC=C(C=C2)OCCCOCC3=CC=CC=C3)O)C(=O)OC(C)(C)C

Isomeric SMILES

CCO[C@@H]1CN(C[C@@H]([C@H]1C2=CC=C(C=C2)OCCCOCC3=CC=CC=C3)O)C(=O)OC(C)(C)C

InChI

InChI=1S/C28H39NO6/c1-5-33-25-19-29(27(31)35-28(2,3)4)18-24(30)26(25)22-12-14-23(15-13-22)34-17-9-16-32-20-21-10-7-6-8-11-21/h6-8,10-15,24-26,30H,5,9,16-20H2,1-4H3/t24-,25+,26+/m0/s1