4-(4-bromanyl-2-chloranyl-phenyl)-4-cyano-piperidine-1-carboxylic acid

Systemtic Name: 4-(4-bromanyl-2-chloranyl-phenyl)-4-cyano-piperidine-1-carboxylic acid Openeye Name: 4-(4-bromo-2-chloro-phenyl)-4-cyano-piperidine-1-carboxylic acid CAS Name: 4-(4-bromo-2-chlorophenyl)-4-cyano-1-piperidinecarboxylic acid IUPAC Name: 4-(4-bromo-2-chlorophenyl)-4-cyanopiperidine-1-carboxylic acid Traditional Name: 4-(4-bromo-2-chloro-phenyl)-4-cyano-piperidine-1-carboxylic acid Formula: C13H12BrClN2O2 MolecularWeight: 343.60358

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C#N)C2=C(C=C(C=C2)Br)Cl)C(=O)O

Isomeric SMILES

C1CN(CCC1(C#N)C2=C(C=C(C=C2)Br)Cl)C(=O)O

InChI

InChI=1S/C13H12BrClN2O2/c14-9-1-2-10(11(15)7-9)13(8-16)3-5-17(6-4-13)12(18)19/h1-2,7H,3-6H2,(H,18,19)