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

Systemtic Name: 1-[(3-bromophenyl)-(3,4-dichlorophenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(3-bromophenyl)-(3,4-dichlorophenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3-bromophenyl)-(3,4-dichlorophenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3-bromophenyl)-(3,4-dichlorophenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(3-bromophenyl)-(3,4-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=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

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

InChI

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