1-[(3,4-dichlorophenyl)-(2-fluorophenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(3,4-dichlorophenyl)-(2-fluorophenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(3,4-dichlorophenyl)-(2-fluorophenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3,4-dichlorophenyl)-(2-fluorophenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3,4-dichlorophenyl)-(2-fluorophenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(3,4-dichlorophenyl)-(2-fluorophenyl)methyl]nipecotic acid Formula: C19H18Cl2FNO2 MolecularWeight: 382.256123

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(C2=CC(=C(C=C2)Cl)Cl)C3=CC=CC=C3F)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CC(=C(C=C2)Cl)Cl)C3=CC=CC=C3F)C(=O)O

InChI

InChI=1S/C19H18Cl2FNO2/c20-15-8-7-12(10-16(15)21)18(14-5-1-2-6-17(14)22)23-9-3-4-13(11-23)19(24)25/h1-2,5-8,10,13,18H,3-4,9,11H2,(H,24,25)