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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(C2=C(C(=CC=C2)Cl)Cl)C3=CC4=CC=CC=C4N=C3)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=C(C(=CC=C2)Cl)Cl)C3=CC4=CC=CC=C4N=C3)C(=O)O

InChI

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