(2R,3R)-2-(4-ethoxyphenyl)-1-ethyl-6-oxidanylidene-piperidine-3-carboxylic acid

Systemtic Name: (2R,3R)-2-(4-ethoxyphenyl)-1-ethyl-6-oxidanylidene-piperidine-3-carboxylic acid Openeye Name: (2R,3R)-2-(4-ethoxyphenyl)-1-ethyl-6-oxo-piperidine-3-carboxylic acid CAS Name: (2R,3R)-2-(4-ethoxyphenyl)-1-ethyl-6-oxo-3-piperidinecarboxylic acid IUPAC Name: (2R,3R)-2-(4-ethoxyphenyl)-1-ethyl-6-oxopiperidine-3-carboxylic acid Traditional Name: (2R,3R)-1-ethyl-6-keto-2-p-phenetyl-nipecotic acid Formula: C16H21NO4 MolecularWeight: 291.34224

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(C(CCC1=O)C(=O)O)C2=CC=C(C=C2)OCC

Isomeric SMILES

CCN1[C@H]([C@@H](CCC1=O)C(=O)O)C2=CC=C(C=C2)OCC

InChI

InChI=1S/C16H21NO4/c1-3-17-14(18)10-9-13(16(19)20)15(17)11-5-7-12(8-6-11)21-4-2/h5-8,13,15H,3-4,9-10H2,1-2H3,(H,19,20)/t13-,15+/m1/s1