[(3S,4S,5R)-5-oxidanyl-4-phenylmethoxy-1-(phenylmethyl)piperidin-3-yl] benzoate

Systemtic Name: [(3S,4S,5R)-5-oxidanyl-4-phenylmethoxy-1-(phenylmethyl)piperidin-3-yl] benzoate Openeye Name: [(3S,4S,5R)-1-benzyl-4-benzyloxy-5-hydroxy-3-piperidyl] benzoate CAS Name: benzoic acid [(3S,4S,5R)-5-hydroxy-4-phenylmethoxy-1-(phenylmethyl)-3-piperidinyl] ester IUPAC Name: [(3S,4S,5R)-1-benzyl-5-hydroxy-4-phenylmethoxypiperidin-3-yl] benzoate Traditional Name: benzoic acid [(3S,4S,5R)-4-benzoxy-1-benzyl-5-hydroxy-3-piperidyl] ester Formula: C26H27NO4 MolecularWeight: 417.49688

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(CN1CC2=CC=CC=C2)OC(=O)C3=CC=CC=C3)OCC4=CC=CC=C4)O

Isomeric SMILES

C1[C@H]([C@@H]([C@H](CN1CC2=CC=CC=C2)OC(=O)C3=CC=CC=C3)OCC4=CC=CC=C4)O

InChI

InChI=1S/C26H27NO4/c28-23-17-27(16-20-10-4-1-5-11-20)18-24(31-26(29)22-14-8-3-9-15-22)25(23)30-19-21-12-6-2-7-13-21/h1-15,23-25,28H,16-19H2/t23-,24+,25+/m1/s1