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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(C2=CC=C(C=C2)F)C3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=CC=C(C=C2)F)C3=C(C=C(C=C3)Cl)Cl

InChI

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