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

Systemtic Name: 1-[[2,3-bis(chloranyl)phenyl]-quinolin-2-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(2,3-dichlorophenyl)-(2-quinolyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(2,3-dichlorophenyl)-(2-quinolinyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(2,3-dichlorophenyl)-quinolin-2-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[(2,3-dichlorophenyl)-(2-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=NC4=CC=CC=C4C=C3)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=C(C(=CC=C2)Cl)Cl)C3=NC4=CC=CC=C4C=C3)C(=O)O

InChI

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