tert-butyl (2S,3R)-2-(hydroxymethyl)-3-phenylmethoxy-3,4-dihydro-2H-pyridine-1-carboxylate

Systemtic Name: tert-butyl (2S,3R)-2-(hydroxymethyl)-3-phenylmethoxy-3,4-dihydro-2H-pyridine-1-carboxylate Openeye Name: tert-butyl (2S,3R)-3-benzyloxy-2-(hydroxymethyl)-3,4-dihydro-2H-pyridine-1-carboxylate CAS Name: (2S,3R)-2-(hydroxymethyl)-3-phenylmethoxy-3,4-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S,3R)-2-(hydroxymethyl)-3-phenylmethoxy-3,4-dihydro-2H-pyridine-1-carboxylate Traditional Name: (2S,3R)-3-benzoxy-2-methylol-3,4-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester Formula: C18H25NO4 MolecularWeight: 319.3954

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=CCC(C1CO)OCC2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C18H25NO4/c1-18(2,3)23-17(21)19-11-7-10-16(15(19)12-20)22-13-14-8-5-4-6-9-14/h4-9,11,15-16,20H,10,12-13H2,1-3H3/t15-,16+/m0/s1