(3S)-1-[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl]piperidine-3-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)CN2CCCC(C2)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)CN2CCC[C@@H](C2)C(=O)O)OC

InChI

InChI=1S/C16H21NO5/c1-21-14-6-5-11(8-15(14)22-2)13(18)10-17-7-3-4-12(9-17)16(19)20/h5-6,8,12H,3-4,7,9-10H2,1-2H3,(H,19,20)/t12-/m0/s1