1-[(3-chlorophenyl)-(1-methylimidazol-2-yl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(3-chlorophenyl)-(1-methylimidazol-2-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(3-chlorophenyl)-(1-methylimidazol-2-yl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3-chlorophenyl)-(1-methyl-2-imidazolyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3-chlorophenyl)-(1-methylimidazol-2-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(3-chlorophenyl)-(1-methylimidazol-2-yl)methyl]isonipecotic acid Formula: C17H20ClN3O2 MolecularWeight: 333.8126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1C(C2=CC(=CC=C2)Cl)N3CCC(CC3)C(=O)O

Isomeric SMILES

CN1C=CN=C1C(C2=CC(=CC=C2)Cl)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C17H20ClN3O2/c1-20-10-7-19-16(20)15(13-3-2-4-14(18)11-13)21-8-5-12(6-9-21)17(22)23/h2-4,7,10-12,15H,5-6,8-9H2,1H3,(H,22,23)