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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18BrCl2NO2/c20-14-5-3-12(4-6-14)18(16-8-7-15(21)10-17(16)22)23-9-1-2-13(11-23)19(24)25/h3-8,10,13,18H,1-2,9,11H2,(H,24,25)