1-[[2,3-bis(chloranyl)phenyl]-quinolin-3-yl-methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[[2,3-bis(chloranyl)phenyl]-quinolin-3-yl-methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(2,3-dichlorophenyl)-(3-quinolyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(2,3-dichlorophenyl)-(3-quinolinyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2,3-dichlorophenyl)-quinolin-3-ylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-[(2,3-dichlorophenyl)-(3-quinolyl)methyl]isonipecotic acid Formula: C22H20Cl2N2O2 MolecularWeight: 415.3124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(C2=C(C(=CC=C2)Cl)Cl)C3=CC4=CC=CC=C4N=C3

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=C(C(=CC=C2)Cl)Cl)C3=CC4=CC=CC=C4N=C3

InChI

InChI=1S/C22H20Cl2N2O2/c23-18-6-3-5-17(20(18)24)21(26-10-8-14(9-11-26)22(27)28)16-12-15-4-1-2-7-19(15)25-13-16/h1-7,12-14,21H,8-11H2,(H,27,28)