(3S,4S,5R)-4-ethoxycarbonyl-1,6-dimethyl-5-oxidanyl-5-phenyl-piperidine-3-carboxylic acid

Systemtic Name: (3S,4S,5R)-4-ethoxycarbonyl-1,6-dimethyl-5-oxidanyl-5-phenyl-piperidine-3-carboxylic acid Openeye Name: (3S,4S,5R)-4-ethoxycarbonyl-5-hydroxy-1,6-dimethyl-5-phenyl-piperidine-3-carboxylic acid CAS Name: (3S,4S,5R)-4-ethoxycarbonyl-5-hydroxy-1,6-dimethyl-5-phenyl-3-piperidinecarboxylic acid IUPAC Name: (3S,4S,5R)-4-ethoxycarbonyl-5-hydroxy-1,6-dimethyl-5-phenylpiperidine-3-carboxylic acid Traditional Name: (3S,4S,5R)-4-carbethoxy-5-hydroxy-1,6-dimethyl-5-phenyl-nipecotic acid Formula: C17H23NO5 MolecularWeight: 321.36822

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(CN(C(C1(C2=CC=CC=C2)O)C)C)C(=O)O

Isomeric SMILES

CCOC(=O)[C@H]1[C@@H](CN(C([C@@]1(C2=CC=CC=C2)O)C)C)C(=O)O

InChI

InChI=1S/C17H23NO5/c1-4-23-16(21)14-13(15(19)20)10-18(3)11(2)17(14,22)12-8-6-5-7-9-12/h5-9,11,13-14,22H,4,10H2,1-3H3,(H,19,20)/t11?,13-,14-,17+/m1/s1