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

Systemtic Name: 1-[(4-bromophenyl)-(3-chlorophenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(4-bromophenyl)-(3-chlorophenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(4-bromophenyl)-(3-chlorophenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(4-bromophenyl)-(3-chlorophenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(4-bromophenyl)-(3-chlorophenyl)methyl]nipecotic acid Formula: C19H19BrClNO2 MolecularWeight: 408.71666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19BrClNO2/c20-16-8-6-13(7-9-16)18(14-3-1-5-17(21)11-14)22-10-2-4-15(12-22)19(23)24/h1,3,5-9,11,15,18H,2,4,10,12H2,(H,23,24)