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

Systemtic Name: (2R,3R)-2-(2,4-dimethoxyphenyl)-1-ethyl-6-oxidanylidene-piperidine-3-carboxylic acid Openeye Name: (2R,3R)-2-(2,4-dimethoxyphenyl)-1-ethyl-6-oxo-piperidine-3-carboxylic acid CAS Name: (2R,3R)-2-(2,4-dimethoxyphenyl)-1-ethyl-6-oxo-3-piperidinecarboxylic acid IUPAC Name: (2R,3R)-2-(2,4-dimethoxyphenyl)-1-ethyl-6-oxopiperidine-3-carboxylic acid Traditional Name: (2R,3R)-2-(2,4-dimethoxyphenyl)-1-ethyl-6-keto-nipecotic acid Formula: C16H21NO5 MolecularWeight: 307.34164

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(C(CCC1=O)C(=O)O)C2=C(C=C(C=C2)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO5/c1-4-17-14(18)8-7-12(16(19)20)15(17)11-6-5-10(21-2)9-13(11)22-3/h5-6,9,12,15H,4,7-8H2,1-3H3,(H,19,20)/t12-,15+/m1/s1