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

Systemtic Name: 1-[(3-bromophenyl)-(3-chlorophenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(3-bromophenyl)-(3-chlorophenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3-bromophenyl)-(3-chlorophenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3-bromophenyl)-(3-chlorophenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(3-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(=CC=C2)Cl)C3=CC(=CC=C3)Br)C(=O)O

Isomeric SMILES

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

InChI

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