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

Systemtic Name: 1-[(2-bromophenyl)-(2,4-dichlorophenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(2-bromophenyl)-(2,4-dichlorophenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(2-bromophenyl)-(2,4-dichlorophenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(2-bromophenyl)-(2,4-dichlorophenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(2-bromophenyl)-(2,4-dichlorophenyl)methyl]nipecotic acid Formula: C19H18BrCl2NO2 MolecularWeight: 443.16172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(C2=C(C=C(C=C2)Cl)Cl)C3=CC=CC=C3Br)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=C(C=C(C=C2)Cl)Cl)C3=CC=CC=C3Br)C(=O)O

InChI

InChI=1S/C19H18BrCl2NO2/c20-16-6-2-1-5-14(16)18(15-8-7-13(21)10-17(15)22)23-9-3-4-12(11-23)19(24)25/h1-2,5-8,10,12,18H,3-4,9,11H2,(H,24,25)