1-[[2,5-bis(chloranyl)phenyl]methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[[2,5-bis(chloranyl)phenyl]methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(2,5-dichlorophenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(2,5-dichlorophenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(2,5-dichlorophenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-(2,5-dichlorobenzyl)nipecotic acid Formula: C13H15Cl2NO2 MolecularWeight: 288.1697

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC2=C(C=CC(=C2)Cl)Cl)C(=O)O

Isomeric SMILES

C1CC(CN(C1)CC2=C(C=CC(=C2)Cl)Cl)C(=O)O

InChI

InChI=1S/C13H15Cl2NO2/c14-11-3-4-12(15)10(6-11)8-16-5-1-2-9(7-16)13(17)18/h3-4,6,9H,1-2,5,7-8H2,(H,17,18)