1-[[5-bromanyl-2-[(4-chlorophenyl)methoxy]phenyl]methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[[5-bromanyl-2-[(4-chlorophenyl)methoxy]phenyl]methyl]piperidine-4-carboxylic acid Openeye Name: 1-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]piperidine-4-carboxylic acid CAS Name: 1-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]piperidine-4-carboxylic acid Traditional Name: 1-[5-bromo-2-(4-chlorobenzyl)oxy-benzyl]isonipecotic acid Formula: C20H21BrClNO3 MolecularWeight: 438.74264

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)CC2=C(C=CC(=C2)Br)OCC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CN(CCC1C(=O)O)CC2=C(C=CC(=C2)Br)OCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H21BrClNO3/c21-17-3-6-19(26-13-14-1-4-18(22)5-2-14)16(11-17)12-23-9-7-15(8-10-23)20(24)25/h1-6,11,15H,7-10,12-13H2,(H,24,25)