1-[2-(3,5-dimethylphenoxy)ethanoyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[2-(3,5-dimethylphenoxy)ethanoyl]piperidine-3-carboxylic acid Openeye Name: 1-[2-(3,5-dimethylphenoxy)acetyl]piperidine-3-carboxylic acid CAS Name: 1-[2-(3,5-dimethylphenoxy)-1-oxoethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[2-(3,5-dimethylphenoxy)acetyl]piperidine-3-carboxylic acid Traditional Name: 1-[2-(3,5-dimethylphenoxy)acetyl]nipecotic acid Formula: C16H21NO4 MolecularWeight: 291.34224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCC(=O)N2CCCC(C2)C(=O)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCC(=O)N2CCCC(C2)C(=O)O)C

InChI

InChI=1S/C16H21NO4/c1-11-6-12(2)8-14(7-11)21-10-15(18)17-5-3-4-13(9-17)16(19)20/h6-8,13H,3-5,9-10H2,1-2H3,(H,19,20)