1-[[2,3-bis(chloranyl)phenyl]-(3-bromophenyl)methyl]piperidine-4-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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