(2R,3S)-2-(2,5-dimethoxyphenyl)-1-ethyl-6-oxidanylidene-piperidine-3-carboxylic acid

Systemtic Name: (2R,3S)-2-(2,5-dimethoxyphenyl)-1-ethyl-6-oxidanylidene-piperidine-3-carboxylic acid Openeye Name: (2R,3S)-2-(2,5-dimethoxyphenyl)-1-ethyl-6-oxo-piperidine-3-carboxylic acid CAS Name: (2R,3S)-2-(2,5-dimethoxyphenyl)-1-ethyl-6-oxo-3-piperidinecarboxylic acid IUPAC Name: (2R,3S)-2-(2,5-dimethoxyphenyl)-1-ethyl-6-oxopiperidine-3-carboxylic acid Traditional Name: (2R,3S)-2-(2,5-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=CC(=C2)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO5/c1-4-17-14(18)8-6-11(16(19)20)15(17)12-9-10(21-2)5-7-13(12)22-3/h5,7,9,11,15H,4,6,8H2,1-3H3,(H,19,20)/t11-,15+/m0/s1