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

Systemtic Name: (2S)-1-[2-(3,4-dimethoxyphenyl)ethanoyl]piperidine-2-carboxylic acid Openeye Name: (2S)-1-[2-(3,4-dimethoxyphenyl)acetyl]piperidine-2-carboxylic acid CAS Name: (2S)-1-[2-(3,4-dimethoxyphenyl)-1-oxoethyl]-2-piperidinecarboxylic acid IUPAC Name: (2S)-1-[2-(3,4-dimethoxyphenyl)acetyl]piperidine-2-carboxylic acid Traditional Name: (2S)-1-homoveratroylpipecolinic acid Formula: C16H21NO5 MolecularWeight: 307.34164

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(=O)N2CCCCC2C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC(=O)N2CCCC[C@H]2C(=O)O)OC

InChI

InChI=1S/C16H21NO5/c1-21-13-7-6-11(9-14(13)22-2)10-15(18)17-8-4-3-5-12(17)16(19)20/h6-7,9,12H,3-5,8,10H2,1-2H3,(H,19,20)/t12-/m0/s1