1-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(5-chloro-1,3-dimethyl-4-pyrazolyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]nipecotic acid Formula: C12H18ClN3O2 MolecularWeight: 271.74322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CN2CCCC(C2)C(=O)O)Cl)C

Isomeric SMILES

CC1=NN(C(=C1CN2CCCC(C2)C(=O)O)Cl)C

InChI

InChI=1S/C12H18ClN3O2/c1-8-10(11(13)15(2)14-8)7-16-5-3-4-9(6-16)12(17)18/h9H,3-7H2,1-2H3,(H,17,18)