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

Systemtic Name: 1-[2-(3,5-dimethylphenoxy)ethyl]piperidine-3-carboxylic acid Openeye Name: 1-[2-(3,5-dimethylphenoxy)ethyl]piperidine-3-carboxylic acid CAS Name: 1-[2-(3,5-dimethylphenoxy)ethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[2-(3,5-dimethylphenoxy)ethyl]piperidine-3-carboxylic acid Traditional Name: 1-[2-(3,5-dimethylphenoxy)ethyl]nipecotic acid Formula: C16H23NO3 MolecularWeight: 277.35872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCN2CCCC(C2)C(=O)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCCN2CCCC(C2)C(=O)O)C

InChI

InChI=1S/C16H23NO3/c1-12-8-13(2)10-15(9-12)20-7-6-17-5-3-4-14(11-17)16(18)19/h8-10,14H,3-7,11H2,1-2H3,(H,18,19)